[Molden Format]
[Molpro variables]
NUMVAR=                    522.0000000000000000
PATCHLEVEL=                    130.0000000000000000
EV=                      0.0367493088676916
KJOULE=                      0.0003808798324129
KJOULE/MOL=                      0.0003808798324129
CM=                      0.0000045563352673
CM-1=                      0.0000045563352673
KCAL=                      0.0015936011178156
KCAL/MOL=                      0.0015936011178156
KELVIN=                      0.0000031668288611
HERTZ=                      0.0000000000000002
HZ=                      0.0000000000000002
TOA=                      0.5291772490000000
TOANG=                      0.5291772490000000
TORAD=                      0.0174532925199433
TOCM=                 219474.6306700000131968
TODEBYE=                      2.5415800000000002
TOEV=                     27.2113961000000018
TOHERTZ=       6579683899900000.0000000000000000
TOHZ=       6579683899900000.0000000000000000
TOK=                 315773.2999999999883585
TOKCAL=                    627.5095999999999776
TOKELVIN=                 315773.2999999999883585
TOKJ=                   2625.5000000000000000
TOKJOULE=                   2625.5000000000000000
ANG=                      1.8897259885789233
ANGSTROM=                      1.8897259885789233
IGNORE_UNDEF=                      2.0000000000000000
STRICTCHECK=                      0.0000000000000000
SEW_ONEEL=                      0.0000000000000000
CPPDONE=FALSE
DKROLL_DONE=                      0.0000000000000000
FOCKDONE=TRUE
GRADONE=FALSE
HESSDONE=FALSE
INTDONE=TRUE
SCFDONE=TRUE
MODUL_LCCSD=TRUE
MODUL_COSMO=TRUE
MODUL_VSCF=FALSE
MODUL_CFIT=TRUE
MODUL_MRCC=FALSE
MODUL_CIDFT=FALSE
MODUL_CC2=FALSE
MRCC_EXEC=
FITC_AO_SAVED=FALSE
FITC_MO_SAVED=FALSE
LSTYP=SEWARD
INTYP=INTS
GEOMTYP=XYZ
GRADTYP=ALASKA
DIRECT=FALSE
DKROLL=FALSE
SYNCM=                      0.0000000000000000
DFTNAME=                      0.0000000000000000
DFTFUNC=                      0.0000000000000000
BASIS=AVQZ
BASISSETS=
ZSIGNX=
ZSIGNY=
ZSIGNZ=
CHARGE=
SCFCHARGE=
MCCHARGE=
CICHARGE=
CCCHARGE=
NELEC=                     19.0000000000000000
SCFNELEC=                     19.0000000000000000
MCNELEC=                     19.0000000000000000
CINELEC=                     19.0000000000000000
CCNELEC=                     19.0000000000000000
SPIN=                      1.0000000000000000
SCFSPIN=                      1.0000000000000000
MCSPIN=                      1.0000000000000000
CISPIN=                      1.0000000000000000
CCSPIN=                      1.0000000000000000
STATE=                      1.0000000000000000
SCFSTATE=                      1.0000000000000000
MCSTATE=                      1.0000000000000000
CISTATE=                      1.0000000000000000
SYMMETRY=                      1.0000000000000000
SCFSYMMETRY=                      1.0000000000000000
MCSYMMETRY=                      1.0000000000000000
CISYMMETRY=                      1.0000000000000000
CCSYMMETRY=                      1.0000000000000000
SCFSYMM=                      1.0000000000000000
MCSYMM=                      1.0000000000000000
CISYMM=                      1.0000000000000000
CCSYMM=                      1.0000000000000000
SCFSYM=                      1.0000000000000000
MCSYM=                      1.0000000000000000
CISYM=                      1.0000000000000000
CCSYM=                      1.0000000000000000
ZSYMEL=                      1.0000000000000000
WEIGHT=                      1.0000000000000000
MCWEIGHT=                      1.0000000000000000
LQUANT=                      1.0000000000000000
MCLQUANT=                      1.0000000000000000
OPTCONV=                      1.0000000000000000
QSDSTEP=                      0.0000000000000000
QSDIRC=                      0.0000000000000000
PROGRAM=RHF-SCF
CPUSTEP=                      0.4160000000000004
SYSSTEP=                      0.0160000000000000
WALLSTEP=                      0.4300000000000000
!PERT=                      0.4300000000000000
!DFMP2=                      0.4300000000000000
!DFSCF=                      0.0000000000000000
!DFHFENERG=                      0.0000000000000000
!SCSGRD=                      0.0000000000000000
ATCHARGE=                      0.0000000000000000
BASINP=                    610.0000000000000000
CARTESIAN=                    610.0000000000000000
CFIT=                    610.0000000000000000
CFIT_FRED=                    610.0000000000000000
CFIT_FRED_THR=                    610.0000000000000000
CHII2=                    610.0000000000000000
CHIRS=                    610.0000000000000000
COEFF=                    610.0000000000000000
CPU2IDX_CFIT=                    610.0000000000000000
CPU3IDX_CFIT=                    610.0000000000000000
CPUASMBL_CFIT=                    610.0000000000000000
CPUBLAS1=                    610.0000000000000000
CPUBLAS2=                    610.0000000000000000
CPUBLAS3=                    610.0000000000000000
CPUINT_DTRAF=                    610.0000000000000000
CPUSOLVE_CFIT=                    610.0000000000000000
CPUTOT=                      6.3040000000000003
CPUTR1_CFIT=                      6.3040000000000003
CPUTR2_CFIT=                      6.3040000000000003
CPUINV_CFIT=                      6.3040000000000003
CPUFIT_CFIT=                      6.3040000000000003
CPUTRANS_CFIT=                      6.3040000000000003
CPUSCREEN_CFIT=                      6.3040000000000003
CPUTRANS_DTRAF=                      6.3040000000000003
CPUTRA_DTRAF=                      6.3040000000000003
DALTON=                      6.3040000000000003
DARW=                      6.3040000000000003
DECAY=                      6.3040000000000003
DELE_CFIT=                      6.3040000000000003
DELG_CFIT=                      6.3040000000000003
DELTA=                      6.3040000000000003
DFTEXFAC=                      6.3040000000000003
DFTFAC=                      6.3040000000000003
DFTFUN=                      6.3040000000000003
DFTFUNS=                      6.3040000000000003
DMEX=                      6.3040000000000003
DMEY=                      6.3040000000000003
DMEZ=                      6.3040000000000003
DMNX=                      6.3040000000000003
DMNY=                      6.3040000000000003
DMNZ=                      6.3040000000000003
DMSCF=                      6.3040000000000003
DMSCF_Efield=                      6.3040000000000003
DMSCF_I=                      6.3040000000000003
DMSCF_J=                      6.3040000000000003
DMSCF_K=                      6.3040000000000003
DMSCF_N1=                      6.3040000000000003
DMSCF_N2=                      6.3040000000000003
DMSCF_NUC=                      6.3040000000000003
DMSCF_T=                      6.3040000000000003
DMSCF_V=                      6.3040000000000003
DMX=                      0.0000000000000000
DMY=                      0.0000000000000000
DMZ=                      0.0000000000000013
DMZCOR=                      0.0000000000000013
DM_RHO1=                      0.0000000000000013
DM_RVAL=                      0.0000000000000013
DUMMYATOMS=                      0.0000000000000013
FREQUENCIES=                      0.0000000000000013
EDISP=                      0.0000000000000013
EEDISP=                      0.0000000000000013
EINTRA=                      0.0000000000000013
EIONIC=                      0.0000000000000013
EMP2=                      0.0000000000000013
EMP2_SING=                      0.0000000000000013
EMP2_TRIP=                      0.0000000000000013
EMP2_SCS=                      0.0000000000000013
ECSING=                      0.0000000000000013
ECTRIP=                      0.0000000000000013
EMP2_R12=                      0.0000000000000013
EMP2_R12A=                      0.0000000000000013
EMP2R12_2AD=                      0.0000000000000013
EMP2R12_2A=                      0.0000000000000013
EMP2R12_2AP=                      0.0000000000000013
EMP2R12_2SAD=                      0.0000000000000013
EMP2R12_2SA=                      0.0000000000000013
EMP2R12_2SAP=                      0.0000000000000013
EMP2_R12_DIAG=                      0.0000000000000013
EMP2_R12_STRONG=                      0.0000000000000013
EMP2_R12_CLOSE=                      0.0000000000000013
EMP2_R12_WEAK=                      0.0000000000000013
EMP2_R12_DIST=                      0.0000000000000013
EMP2R=                      0.0000000000000013
EMP3=                      0.0000000000000013
EMP3R=                      0.0000000000000013
EMP4=                      0.0000000000000013
ENERGC=                      0.0000000000000013
ENERGD=                      0.0000000000000013
ENERGP=                      0.0000000000000013
ENERGR=                      0.0000000000000013
ENERGRR=                      0.0000000000000013
ENERGS=                      0.0000000000000013
ENERGT=                      0.0000000000000013
ENERGU=                      0.0000000000000013
ENERGW=                      0.0000000000000013
ENERGY=                   -198.8581184377925126
ENERGY_MP=                   -198.8581184377925126
ENUC=                     22.5000105871948328
EPDIST=                     22.5000105871948328
EPDIST_R12=                     22.5000105871948328
EPSUM=                     22.5000105871948328
EPSUM_R12=                     22.5000105871948328
EPS1=                     22.5000105871948328
EPS2=                     22.5000105871948328
EPS3=                     22.5000105871948328
EPS4=                     22.5000105871948328
EPS5=                     22.5000105871948328
EPS6=                     22.5000105871948328
EPS7=                     22.5000105871948328
EPS8=                     22.5000105871948328
EREL=                     22.5000105871948328
FLOPBLAS1=                     22.5000105871948328
FLOPBLAS2=                     22.5000105871948328
FLOPBLAS3=                     22.5000105871948328
FLOPDGM=                     22.5000105871948328
FLOPDGV=                     22.5000105871948328
FLOPMXM=                     22.5000105871948328
FLOPMXV=                     22.5000105871948328
FREQSTEP=                     22.5000105871948328
!RS2GRSTATE=                     22.5000105871948328
!RS2GRSYM=                     22.5000105871948328
GRADENERG=                     22.5000105871948328
GRADEXFAC=                   9999.0000000000000000
GRADMETHOD=                      2.0000000000000000
GRADRECORD=                      2.0000000000000000
GRADX=                      2.0000000000000000
GRADY=                      2.0000000000000000
GRADZ=                      2.0000000000000000
GRADVAR=                      2.0000000000000000
GRID=                      2.0000000000000000
GRID_FREEZE=                      2.0000000000000000
!GRID_FREEZE=                     -1.0000000000000000
GRID_WEIGHT_CUT=                     -1.0000000000000000
GRID_BLOCKSIZE=                     -1.0000000000000000
GRID_SPARSITY=                     -1.0000000000000000
GRID_RMAX=                     -1.0000000000000000
GTOTAL=                     -1.0000000000000000
HDIA=                     -1.0000000000000000
HDIACI=                     -1.0000000000000000
HEAT=                     -1.0000000000000000
HTOTAL=                     -1.0000000000000000
INCR_CORR=                     -1.0000000000000000
INCR_COUNT=                     -1.0000000000000000
INCR_READY=                     -1.0000000000000000
ISCHI=                     -1.0000000000000000
ITERATIONS=                      9.0000000000000000
KFIT=                      9.0000000000000000
LASTNELEC=                     19.0000000000000000
LASTSPIN=                      1.0000000000000000
LASTSYM=                      5.0000000000000000
LL=                      5.0000000000000000
MASSV=                      5.0000000000000000
MIN_ITER=                      5.0000000000000000
MIXANG=                      5.0000000000000000
MIXANGCI=                      5.0000000000000000
MPP_PROG=                      1.0000000000000000
MSENERGY=                      1.0000000000000000
NACME=                      1.0000000000000000
NBAS_CFIT=                      1.0000000000000000
NEWREC=                      1.0000000000000000
NGRID=                      1.0000000000000000
NPROC_MPP=                      4.0000000000000000
NPROC_SMP=                      1.0000000000000000
NUMSTEP=                      0.0000000000000000
OPNUC=                      0.0000000000000000
OPTCONVMX=                      0.0000000000000000
OPTCONVRMS=                      0.0000000000000000
OPTGRAD=                      0.0000000000000000
OPTGRADMX=                      0.0000000000000000
OPTGRADRMS=                      0.0000000000000000
OPTRMSMAX=                      0.0000000000000000
OPTSTEP=                      0.0000000000000000
ORBITAL=                   2100.1999999999998181
PAOINT_CFIT=                   2100.1999999999998181
PENALTY=                   2100.1999999999998181
PH1INT_CFIT=                   2100.1999999999998181
PH1VEC_CFIT=                   2100.1999999999998181
PH2INT_CFIT=                   2100.1999999999998181
PHASE=                   2100.1999999999998181
PI=                      3.1415926535897931
PMOINT_CFIT=                      3.1415926535897931
PMOVEC_CFIT=                      3.1415926535897931
POISSON_ECORR=                      3.1415926535897931
POISSON_ERROR=                      3.1415926535897931
POLXX=                      3.1415926535897931
POLXY=                      3.1415926535897931
POLXZ=                      3.1415926535897931
POLYY=                      3.1415926535897931
POLYZ=                      3.1415926535897931
POLZZ=                      3.1415926535897931
POLYX=                      3.1415926535897931
POLZX=                      3.1415926535897931
POLZY=                      3.1415926535897931
POVINT_CFIT=                      3.1415926535897931
ROOT=                      3.1415926535897931
RPDIST=                      3.1415926535897931
RPMIN=                      3.1415926535897931
RPMAX=                      3.1415926535897931
EPCON=                      3.1415926535897931
EPDIAG=                      3.1415926535897931
!MCACT=                      3.1415926535897931
!MCCLOSED=                      3.1415926535897931
!MCFREEZE=                      3.1415926535897931
!MCMS2=                      3.1415926535897931
!MCNEL=                      3.1415926535897931
!MCNSTSYM=                      3.1415926535897931
!MCSTATE=                      3.1415926535897931
!MCSYM=                      3.1415926535897931
!MCWEIGHT=                      3.1415926535897931
SEIG_MIN=                      0.0004868434663883
SEWPROP=                      1.0000000000000000
SMAT=                      1.0000000000000000
SMATCI=                      1.0000000000000000
STATUS=                      1.0000000000000000
SYSBLAS1=                      1.0000000000000000
SYSBLAS2=                      1.0000000000000000
SYSBLAS3=                      1.0000000000000000
SYSTEM_RC=                      1.0000000000000000
SYSTOT=                      0.3200000000000000
T1DIAG=                      0.3200000000000000
D1DIAG=                      0.3200000000000000
TASK=                      0.3200000000000000
TROV=                      0.3200000000000000
HMAT=                      0.3200000000000000
UMAT=                      0.3200000000000000
UMATCI=                      0.3200000000000000
VERSION=                2006001.0000000000000000
WALLBLAS1=                2006001.0000000000000000
WALLBLAS2=                2006001.0000000000000000
WALLBLAS3=                2006001.0000000000000000
WALLTOT=                      6.7000000000000002
ZPE=                      6.7000000000000002
!DFBASIS_COUL=                      6.7000000000000002
!DFBASIS_EXCH=                      6.7000000000000002
!DFBASIS_MP2=                      6.7000000000000002
!DFBASIS_CCSD=                      6.7000000000000002
!RIBASIS_MP2=                      6.7000000000000002
MODULE_ALMLOF=                      6.7000000000000002
MODULE_BENCH=                      6.7000000000000002
MODULE_CFIT=                      6.7000000000000002
MODULE_DEVELOP=                      6.7000000000000002
MODULE_DIRECT=                      6.7000000000000002
MODULE_DMSCF=                      6.7000000000000002
MODULE_DOC=                      6.7000000000000002
MODULE_DOCDEV=                      6.7000000000000002
MODULE_LCCSD=                      6.7000000000000002
MODULE_LOCAL=                      6.7000000000000002
MODULE_LX=                      6.7000000000000002
MODULE_MPP=                      6.7000000000000002
MODULE_COSMO=                      6.7000000000000002
MODULE_DFIT=                      6.7000000000000002
MODULE_EXPLICIT=                      6.7000000000000002
MODULE_VSCF=                      6.7000000000000002
MODULE_MRCC=                      6.7000000000000002
MODULE_CIDFT=                      6.7000000000000002
MODULE_CC2=                      6.7000000000000002
MODULE_SLATER=                      6.7000000000000002
MODULE_GCC=                      6.7000000000000002
DATE= 16-Jul-09
LASTORB=RHF
MACHINE=Linux-2.6.16.27-0.9-default/medusa(ia64) 64 bit mpp version (ifort10.0/mkl)
METHODC=
METHODT=
OUTPUT=
PGROUP=D2h
SEMI=
TIME=10:18:37
VDIAG=
UDIAG=
!AOINTADDSC=
TRANSFORM_FORCE=
SOLVE_ITER=
VSCF_FREQ=
VCI_FREQ=
!SURFREC=                      0.0000000000000000
!VSCFREC=                      0.0000000000000000
!VCIREC=                      0.0000000000000000
!SCFORB=                  21002.0000000000000000
!CIOCC=                  21002.0000000000000000
!CICORE=                  21002.0000000000000000
!CICLOS=                  21002.0000000000000000
!UNO_OCC=                  21002.0000000000000000
!UNO_CLOSED=                  21002.0000000000000000
!CINSTSYM=                  21002.0000000000000000
!CIISTSYM=                  21002.0000000000000000
!CIISTMS2=                  21002.0000000000000000
!CIISTNEL=                  21002.0000000000000000
!CIMS2=                  21002.0000000000000000
!NEWMOL=                     -1.0000000000000000
!NEWSYM=                     -1.0000000000000000
!NEWORIENT=                     -1.0000000000000000
SLFILES=slscratch
NGSSTO=                      9.0000000000000000
SIN=SIN
COS=COS
TAN=TAN
ACOS=ACOS
ASIN=ASIN
ATAN=ATAN
COSH=COSH
SINH=SINH
TANH=TANH
ABS=ABS
MOD=MOD
ERF=ERF
REFC=REFC
ERFC=ERFC
HYPOT=HYPOT
J0=J0
J1=J1
JN=JN
GAMMA=GAMMA
LGAMMA=LGAMMA
Y0=Y0
Y1=Y1
YN=YN
EXP=EXP
LOG=LOG
LOG10=LOG10
SQRT=SQRT
INT=INT
NINT=NINT
MAX=MAX
MIN=MIN
COSMO=                      0.0000000000000000
COSMOIT=                      0.0000000000000000
COSMOES=                      0.0000000000000000
COSMOEDS=                      0.0000000000000000
COSMOEC=                      0.0000000000000000
COSMOEDCORR=                      0.0000000000000000
FEPSI=                      1.0000000000000000
SL_NSYM=                      8.0000000000000000
SL_System_BitSwi=                     32.0000000000000000
SL_Unique_atoms=                      1.0000000000000000
SL_Last_energy=                      1.0000000000000000
SL_GRAD=                      0.0000000000000000
SL_MAXUPD_Hessia=                      5.0000000000000000
SL_N_PRINT_CODES=                      5.0000000000000000
SL_PRINT_CODES=                      0.0000000000000000
SL_BasType=                      0.0000000000000000
SL_Energy_Pred=                      0.0000000000000000
SL_New_Coords=                      0.0000000000000000
SL_Total_Nuclear=                      0.0000000000000000
SL_Highest_Mltpl=                      1.0000000000000000
SCFOCC=                      1.0000000000000000
SCFCLOSED=                      1.0000000000000000
SCFCORE=                      1.0000000000000000
MCOCC=                      1.0000000000000000
MCCLOSED=                      1.0000000000000000
MCFROZEN=                      1.0000000000000000
MCCORE=                      1.0000000000000000
CIOCC=                      1.0000000000000000
CICLOSED=                      1.0000000000000000
CICORE=                      1.0000000000000000
CCOCC=                      1.0000000000000000
CCCLOSED=                      1.0000000000000000
CCCORE=                      1.0000000000000000
SRXC=                      1.0000000000000000
SRC=                      1.0000000000000000
SRX=                      1.0000000000000000
SRH=                      1.0000000000000000
E_EXCHANGE=                      1.0000000000000000
!LATTICE=                     -1.0000000000000000
!NEWLATTICE=                      0.0000000000000000
!LATGRAD_VAR=FALSE
!SEW_LATTICE=                      1.0000000000000000
LATGRADX=                      1.0000000000000000
LATGRADY=                      1.0000000000000000
LATGRADZ=                      1.0000000000000000
!SCALTABINIT=                      1.0000000000000000
!LOCAL=                      0.0000000000000000
!SAVEOCC=                      0.0000000000000000
!SAVEDOM=                     -1.0000000000000000
!RESTDOM=                     -1.0000000000000000
!SAVEDOM_HF=                     -1.0000000000000000
!RESTDOM_HF=                     -1.0000000000000000
!HESSREC=                      0.0000000000000000
!FREQREC=                      0.0000000000000000
!NMODREC=                      0.0000000000000000
!GTASKS=                      0.0000000000000000
!HTASKS=                      0.0000000000000000
!THRCHG=                      0.1000000000000000
!DEBUG=                     -1.0000000000000000
!CFIT_CPHF=                      0.0000000000000000
!RDOMAUX_CPHF=                      3.0000000000000000
!THRAO_CPHF=                      0.0000000100000000
!THRMO_CPHF=                      0.0000000100000000
!THROV_CPHF=                      0.0000000001000000
!THRSW_CPHF=                      0.0000000001000000
!THRPROD_CPHF=                      0.0000000100000000
!THRAOPR_CPHF=                      0.0000000000010000
!CFIT_SCFGRD=                      0.0000000000000000
!RDOMAUX_SCFGRD=                      5.0000000000000000
!THRAO_SCFGRD=                      0.0000000100000000
!THRMO_SCFGRD=                      0.0000000100000000
!THROV_SCFGRD=                      0.0000000001000000
!THRSW_SCFGRD=                      0.0000000001000000
!THRPROD_SCFGRD=                      0.0000000100000000
!THRAOPR_SCFGRD=                      0.0000000000010000
!LOCFIT_SCF=                      0.0000000000000000
!LOCFIT_MP2=                     -1.0000000000000000
RIDOM=                      0.0000000000000000
FCI_METHOD=                      0.0000000000000000
!CC2_METHOD=                      0.0000000000000000
BASIS2006=FALSE
GX1=                      0.0000000000000000
GY1=                      0.0000000000000000
GZ1=                     -0.9525186000000000
GX2=                      0.0000000000000000
GY2=                      0.0000000000000000
GZ2=                      0.9525186000000000
[Atoms] Angs
F     1    9         0.0000000000        0.0000000000       -0.9525186000
F     2    9         0.0000000000        0.0000000000        0.9525186000
[GTO]
  1 0
 s   12 1.00
  0.7453000000D+05  0.9500010373D-04
  0.1117000000D+05  0.7380008058D-03
  0.2543000000D+04  0.3858004212D-02
  0.7210000000D+03  0.1592601739D-01
  0.2359000000D+03  0.5428905928D-01
  0.8560000000D+02  0.1495131632D+00
  0.3355000000D+02  0.3082523366D+00
  0.1393000000D+02  0.3948534311D+00
  0.5915000000D+01  0.2110312304D+00
  0.1843000000D+01  0.1715101873D-01
  0.7124000000D+00 -0.2015002200D-02
  0.2637000000D+00  0.8690009488D-03
 s   12 1.00
  0.7453000000D+05 -0.2199999390D-04
  0.1117000000D+05 -0.1719999523D-03
  0.2543000000D+04 -0.8909997530D-03
  0.7210000000D+03 -0.3747998961D-02
  0.2359000000D+03 -0.1286199643D-01
  0.8560000000D+02 -0.3806098945D-01
  0.3355000000D+02 -0.8623897609D-01
  0.1393000000D+02 -0.1558649568D+00
  0.5915000000D+01 -0.1109139693D+00
  0.1843000000D+01  0.2987609172D+00
  0.7124000000D+00  0.5850128378D+00
  0.2637000000D+00  0.2711589248D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
  0.3355000000D+02  0.0000000000D+00
  0.1393000000D+02  0.0000000000D+00
  0.5915000000D+01  0.0000000000D+00
  0.1843000000D+01  0.1000000000D+01
  0.7124000000D+00  0.0000000000D+00
  0.2637000000D+00  0.0000000000D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
  0.3355000000D+02  0.0000000000D+00
  0.1393000000D+02  0.0000000000D+00
  0.5915000000D+01  0.0000000000D+00
  0.1843000000D+01  0.0000000000D+00
  0.7124000000D+00  0.1000000000D+01
  0.2637000000D+00  0.0000000000D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
  0.3355000000D+02  0.0000000000D+00
  0.1393000000D+02  0.0000000000D+00
  0.5915000000D+01  0.0000000000D+00
  0.1843000000D+01  0.0000000000D+00
  0.7124000000D+00  0.0000000000D+00
  0.2637000000D+00  0.1000000000D+01
 s    1 1.00
  0.8594000000D-01  0.1000000000D+01
 p    6 1.00
  0.8039000000D+02  0.6346999640D-02
  0.1863000000D+02  0.4420399749D-01
  0.5694000000D+01  0.1685139904D+00
  0.1953000000D+01  0.3615629795D+00
  0.6702000000D+00  0.4421779749D+00
  0.2166000000D+00  0.2434349862D+00
 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
  0.5694000000D+01  0.0000000000D+00
  0.1953000000D+01  0.1000000000D+01
  0.6702000000D+00  0.0000000000D+00
  0.2166000000D+00  0.0000000000D+00
 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
  0.5694000000D+01  0.0000000000D+00
  0.1953000000D+01  0.0000000000D+00
  0.6702000000D+00  0.1000000000D+01
  0.2166000000D+00  0.0000000000D+00
 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
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 p    1 1.00
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 d    1 1.00
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 d    1 1.00
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 d    1 1.00
  0.5860000000D+00  0.1000000000D+01
 d    1 1.00
  0.2070000000D+00  0.1000000000D+01
 f    1 1.00
  0.3562000000D+01  0.1000000000D+01
 f    1 1.00
  0.1148000000D+01  0.1000000000D+01
 f    1 1.00
  0.4600000000D+00  0.1000000000D+01
 g    1 1.00
  0.2376000000D+01  0.1000000000D+01
 g    1 1.00
  0.9240000000D+00  0.1000000000D+01

  2 0
 s   12 1.00
  0.7453000000D+05  0.9500010373D-04
  0.1117000000D+05  0.7380008058D-03
  0.2543000000D+04  0.3858004212D-02
  0.7210000000D+03  0.1592601739D-01
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  0.8560000000D+02  0.1495131632D+00
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  0.1393000000D+02  0.3948534311D+00
  0.5915000000D+01  0.2110312304D+00
  0.1843000000D+01  0.1715101873D-01
  0.7124000000D+00 -0.2015002200D-02
  0.2637000000D+00  0.8690009488D-03
 s   12 1.00
  0.7453000000D+05 -0.2199999390D-04
  0.1117000000D+05 -0.1719999523D-03
  0.2543000000D+04 -0.8909997530D-03
  0.7210000000D+03 -0.3747998961D-02
  0.2359000000D+03 -0.1286199643D-01
  0.8560000000D+02 -0.3806098945D-01
  0.3355000000D+02 -0.8623897609D-01
  0.1393000000D+02 -0.1558649568D+00
  0.5915000000D+01 -0.1109139693D+00
  0.1843000000D+01  0.2987609172D+00
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  0.2637000000D+00  0.2711589248D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
  0.3355000000D+02  0.0000000000D+00
  0.1393000000D+02  0.0000000000D+00
  0.5915000000D+01  0.0000000000D+00
  0.1843000000D+01  0.1000000000D+01
  0.7124000000D+00  0.0000000000D+00
  0.2637000000D+00  0.0000000000D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
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  0.1393000000D+02  0.0000000000D+00
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  0.1843000000D+01  0.0000000000D+00
  0.7124000000D+00  0.1000000000D+01
  0.2637000000D+00  0.0000000000D+00
 s   12 1.00
  0.7453000000D+05  0.0000000000D+00
  0.1117000000D+05  0.0000000000D+00
  0.2543000000D+04  0.0000000000D+00
  0.7210000000D+03  0.0000000000D+00
  0.2359000000D+03  0.0000000000D+00
  0.8560000000D+02  0.0000000000D+00
  0.3355000000D+02  0.0000000000D+00
  0.1393000000D+02  0.0000000000D+00
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  0.1843000000D+01  0.0000000000D+00
  0.7124000000D+00  0.0000000000D+00
  0.2637000000D+00  0.1000000000D+01
 s    1 1.00
  0.8594000000D-01  0.1000000000D+01
 p    6 1.00
  0.8039000000D+02  0.6346999640D-02
  0.1863000000D+02  0.4420399749D-01
  0.5694000000D+01  0.1685139904D+00
  0.1953000000D+01  0.3615629795D+00
  0.6702000000D+00  0.4421779749D+00
  0.2166000000D+00  0.2434349862D+00
 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
  0.5694000000D+01  0.0000000000D+00
  0.1953000000D+01  0.1000000000D+01
  0.6702000000D+00  0.0000000000D+00
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 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
  0.5694000000D+01  0.0000000000D+00
  0.1953000000D+01  0.0000000000D+00
  0.6702000000D+00  0.1000000000D+01
  0.2166000000D+00  0.0000000000D+00
 p    6 1.00
  0.8039000000D+02  0.0000000000D+00
  0.1863000000D+02  0.0000000000D+00
  0.5694000000D+01  0.0000000000D+00
  0.1953000000D+01  0.0000000000D+00
  0.6702000000D+00  0.0000000000D+00
  0.2166000000D+00  0.1000000000D+01
 p    1 1.00
  0.6568000000D-01  0.1000000000D+01
 d    1 1.00
  0.5014000000D+01  0.1000000000D+01
 d    1 1.00
  0.1725000000D+01  0.1000000000D+01
 d    1 1.00
  0.5860000000D+00  0.1000000000D+01
 d    1 1.00
  0.2070000000D+00  0.1000000000D+01
 f    1 1.00
  0.3562000000D+01  0.1000000000D+01
 f    1 1.00
  0.1148000000D+01  0.1000000000D+01
 f    1 1.00
  0.4600000000D+00  0.1000000000D+01
 g    1 1.00
  0.2376000000D+01  0.1000000000D+01
 g    1 1.00
  0.9240000000D+00  0.1000000000D+01


[MO]
 Ene=     -25.9781
 Spin= Alpha
 Occup=   2.000000
   1   0.70728797593
   2   0.00058161707
   3  -0.00005075291
   4  -0.00059436642
   5   0.00013397942
   6  -0.00014292432
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   9   0.00054641164
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  12  -0.00019889561
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  21  -0.00000834862
  22  -0.00001404626
  23  -0.00001404626
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  26   0.00000000000
  27   0.00000000000
  28   0.00007295384
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  30  -0.00014590769
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 127  -0.00001404626
 128  -0.00001404626
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 168   0.00000000000
 169  -0.00002588360
 170   0.00000000000
 171   0.00000000000
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 173  -0.00007443239
 174   0.00000000000
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 182  -0.00000554707
 183  -0.00001479218
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 201   0.00000000000
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 204   0.00000000000
 205   0.00000773312
 206  -0.00003093248
 207  -0.00003093248
 208   0.00000000000
 209   0.00000000000
 210   0.00000000000
 Ene=     -25.9780
 Spin= Alpha
 Occup=   2.000000
   1   0.70736545559
   2   0.00083847905
   3   0.00004404561
   4  -0.00141164785
   5   0.00125169810
   6   0.00056994930
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  77  -0.00000188941
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 100   0.00000585594
 101  -0.00002342375
 102  -0.00002342375
 103   0.00000000000
 104   0.00000000000
 105   0.00000000000
 106  -0.70736545559
 107  -0.00083847905
 108  -0.00004404561
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 110  -0.00125169810
 111  -0.00056994930
 112   0.00000000000
 113   0.00000000000
 114   0.00045927052
 115   0.00000000000
 116   0.00000000000
 117  -0.00023580111
 118   0.00000000000
 119   0.00000000000
 120  -0.00037111299
 121   0.00000000000
 122   0.00000000000
 123   0.00115374833
 124   0.00000000000
 125   0.00000000000
 126   0.00013104593
 127   0.00001990811
 128   0.00001990811
 129  -0.00003981623
 130   0.00000000000
 131   0.00000000000
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 133  -0.00010200956
 134  -0.00010200956
 135   0.00020401912
 136   0.00000000000
 137   0.00000000000
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 140   0.00009670872
 141  -0.00019341743
 142   0.00000000000
 143   0.00000000000
 144   0.00000000000
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 146   0.00025715486
 147  -0.00051430971
 148   0.00000000000
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 159  -0.00000500767
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 161   0.00000000000
 162   0.00000000000
 163  -0.00003563937
 164   0.00000000000
 165   0.00000000000
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 167   0.00000000000
 168   0.00000000000
 169   0.00002390762
 170   0.00000000000
 171   0.00000000000
 172   0.00000000000
 173   0.00020809479
 174   0.00000000000
 175   0.00000000000
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 179  -0.00013959423
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 181   0.00000188941
 182   0.00000188941
 183   0.00000503844
 184   0.00000000000
 185   0.00000000000
 186   0.00000000000
 187   0.00000000000
 188   0.00000000000
 189   0.00000000000
 190   0.00000110633
 191  -0.00000442531
 192  -0.00000442531
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 194   0.00000000000
 195   0.00000000000
 196  -0.00001000092
 197  -0.00001000092
 198  -0.00002666911
 199   0.00000000000
 200   0.00000000000
 201   0.00000000000
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 204   0.00000000000
 205  -0.00000585594
 206   0.00002342375
 207   0.00002342375
 208   0.00000000000
 209   0.00000000000
 210   0.00000000000
 Ene=      -1.2287
 Spin= Alpha
 Occup=   2.000000
   1  -0.00091530566
   2   0.68214749724
   3  -0.00131485937
   4  -0.00721246082
   5   0.01213665284
   6   0.00835812953
   7   0.00000000000
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  23   0.00007207710
  24  -0.00014415420
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  28  -0.00027387586
  29  -0.00027387586
  30   0.00054775173
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  34  -0.00052808513
  35  -0.00052808513
  36   0.00105617025
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  40   0.00037391476
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  42  -0.00074782951
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 Spin= Alpha
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 Ene=      -0.2894
 Spin= Alpha
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 Ene=       0.2875
 Spin= Alpha
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 Spin= Alpha
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 Spin= Alpha
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 Ene=      14.0519
 Spin= Alpha
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 Ene=      14.0519
 Spin= Alpha
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 Ene=      14.2628
 Spin= Alpha
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