%chk=000218803.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218803

0 1
I -7.911859 0.837502 -0.090320
S 9.303883 0.564944 -0.181961
O -1.970167 -0.825242 0.016755
N 5.343760 -0.367779 0.036154
N -3.578733 0.892465 -0.048836
C 1.574811 0.344834 0.046264
C 2.876462 -0.464562 0.086034
C 0.352708 -0.579973 0.034387
C 4.101940 0.463656 0.102169
C -0.936561 0.232059 -0.007110
C 6.579999 0.473189 0.119208
C 7.784365 -0.430224 -0.133211
C -3.267308 -0.438226 -0.007986
C -4.229761 -1.479542 0.011983
C -5.567767 -1.111010 -0.011939
C -4.898988 1.222116 -0.071586
C -5.905047 0.250612 -0.053853
H 1.525663 1.026355 0.918424
H 1.564386 0.995954 -0.850815
H 2.937173 -1.137843 -0.794523
H 2.885019 -1.129544 0.970755
H 0.391181 -1.268025 -0.835267
H 0.350905 -1.240147 0.925880
H 4.068260 1.130555 0.990542
H 4.088072 1.123492 -0.794814
H -1.086020 0.877301 0.874374
H -1.065913 0.816553 -0.933088
H 5.342033 -1.055174 0.797639
H 6.678302 1.006658 1.089751
H 6.521700 1.259227 -0.670347
H 7.866081 -1.239838 0.612958
H 7.694200 -0.932052 -1.121866
H -3.908378 -2.516978 0.044112
H 9.423914 0.861727 1.127942
H -6.348151 -1.876881 0.001762
H -5.121762 2.298444 -0.104669


%chk=000218803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218803

0 1
I -7.967956 1.155326 -0.192692
S 9.458448 0.653588 -0.294280
O -2.052301 -0.971189 0.040424
N 5.404025 -0.307093 0.126504
N -3.578908 0.839098 -0.036556
C 1.570154 0.236241 0.097511
C 2.921460 -0.512149 0.104402
C 0.357898 -0.723829 0.081098
C 4.129053 0.444715 0.132269
C -0.962781 0.045581 0.050882
C 6.625824 0.524091 0.110478
C 7.853096 -0.351105 -0.190853
C -3.352331 -0.499599 -0.006839
C -4.392652 -1.468799 -0.022859
C -5.720579 -1.010951 -0.074282
C -4.870628 1.276999 -0.086408
C -5.963143 0.387061 -0.107235
H 1.508614 0.896200 0.987909
H 1.527133 0.902681 -0.788973
H 3.004402 -1.159447 -0.789804
H 2.962103 -1.184237 0.988119
H 0.413132 -1.386955 -0.803459
H 0.379657 -1.376109 0.975360
H 4.033660 1.131327 1.012734
H 4.110261 1.086062 -0.771525
H -1.090840 0.694585 0.937447
H -1.057628 0.678575 -0.851059
H 5.428535 -1.007731 0.881375
H 6.792845 1.090289 1.062382
H 6.520598 1.279501 -0.690530
H 7.986828 -1.143725 0.566033
H 7.750350 -0.825705 -1.179379
H -4.149961 -2.533800 0.003287
H 9.445759 1.088714 1.022366
H -6.548942 -1.724897 -0.089055
H -5.016783 2.361290 -0.109892


