%chk=000078853.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000078853

0 1
S 2.228826 -1.477886 0.244758
S 1.042507 1.421252 0.005978
S -3.008601 -0.540763 1.632365
P -1.851545 -0.199077 0.164539
O -2.427435 -0.612031 -1.332150
O -1.397552 1.371102 -0.143915
N -0.279264 -0.926121 0.247095
C 3.729508 0.798283 -0.257638
C 3.702296 -0.475494 0.568489
C 2.782675 1.849256 0.292277
C 0.854296 -0.348662 0.207484
C -2.980212 -1.947401 -1.432863
C -2.480165 2.329482 -0.257178
H 4.765393 1.208477 -0.262114
H 3.509610 0.584899 -1.327467
H 4.561209 -1.134834 0.317596
H 3.780608 -0.261717 1.653212
H 2.945105 2.021272 1.374423
H 2.934487 2.828054 -0.209480
H -3.306541 -1.979771 -2.483041
H -3.843426 -2.079432 -0.766155
H -2.207734 -2.706677 -1.255509
H -1.941218 3.271834 -0.431064
H -3.055062 2.393139 0.675993
H -3.116863 2.095216 -1.118736


%chk=000078853-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078853

0 1
S 2.306721 -1.275371 -0.656003
S 1.255433 1.569860 0.470889
S -2.516901 -0.047223 1.837667
P -1.810114 0.041816 -0.105680
O -2.769716 -0.815314 -1.266397
O -1.757206 1.583855 -0.895951
N -0.220360 -0.594709 -0.419001
C 4.044352 0.949509 0.030907
C 3.923488 -0.577055 0.068813
C 3.081910 1.636107 1.004771
C 0.962296 -0.132130 -0.161485
C -3.177378 -2.196625 -0.934843
C -2.953799 2.450324 -0.809030
H 5.079062 1.212639 0.332217
H 3.897805 1.329963 -0.996358
H 4.690954 -1.055825 -0.562030
H 4.016642 -0.959398 1.099014
H 3.152621 1.204742 2.017085
H 3.269934 2.721067 1.062735
H -3.907990 -2.469458 -1.710968
H -3.644686 -2.237269 0.066931
H -2.304415 -2.872367 -0.975660
H -2.614984 3.432981 -1.169765
H -3.307446 2.526505 0.236191
H -3.755322 2.055776 -1.457151


