%chk=000238718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238718

0 1
S -1.833482 3.774804 -0.560662
S -0.288789 2.480820 -0.840212
O -0.602202 -1.080976 0.618020
O 1.745144 -1.725000 1.492338
O -4.575333 1.700694 -0.099578
O 3.204428 2.515211 -0.490049
N -2.602179 0.688557 0.538458
N 2.026101 0.692474 0.285983
C -2.870886 -0.642876 0.095682
C 3.036385 -0.296764 0.087533
C -1.797024 -1.579821 0.143518
C 2.894137 -1.558220 0.726129
C -4.115034 -1.082531 -0.366860
C 4.173209 -0.095325 -0.710287
C -3.446112 1.791140 0.339284
C 2.187477 2.057389 -0.008530
C -2.837406 3.108358 0.771442
C 0.994943 2.919432 0.347148
C -1.961685 -2.904378 -0.254401
C 3.836053 -2.575576 0.582940
C -4.281969 -2.415696 -0.767094
C 5.121982 -1.112604 -0.857123
C -3.220668 -3.317669 -0.713333
C 4.959814 -2.343554 -0.218654
H -1.642946 0.833763 0.876878
H 1.139197 0.346636 0.681649
H -4.956344 -0.380607 -0.423308
H 4.323449 0.870034 -1.211597
H -2.295217 3.050150 1.732605
H -3.660783 3.845845 0.944138
H 1.286102 3.991261 0.253804
H 0.669767 2.781999 1.394552
H -1.132671 -3.603990 -0.217178
H 3.704496 -3.530643 1.084094
H -5.257495 -2.741481 -1.126221
H 5.999234 -0.933789 -1.479759
H -3.362234 -4.350032 -1.029555
H 5.706311 -3.127365 -0.340349
H 0.130266 -1.767772 0.587400
H 1.837564 -2.487602 2.115255


%chk=000238718-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238718

0 1
S -1.932603 4.038396 -0.528118
S -0.301968 2.522856 -0.983845
O -0.647271 -0.802486 0.829496
O 1.648419 -1.888697 1.372698
O -4.791544 1.746900 -0.145702
O 3.344844 2.575085 -0.189014
N -2.742739 0.755670 0.456997
N 2.046361 0.655623 0.248066
C -2.910446 -0.593192 0.064157
C 3.032605 -0.353315 0.056732
C -1.771987 -1.430403 0.262323
C 2.838039 -1.650237 0.610281
C -4.090480 -1.140995 -0.492811
C 4.231745 -0.128424 -0.674401
C -3.613959 1.825708 0.315760
C 2.243705 2.033939 0.114413
C -2.999955 3.143691 0.789235
C 0.993455 2.882956 0.380287
C -1.808564 -2.791497 -0.095356
C 3.772224 -2.687153 0.429366
C -4.124198 -2.509891 -0.844969
C 5.178586 -1.159349 -0.844136
C -2.992987 -3.333541 -0.649969
C 4.957532 -2.442625 -0.297003
H -1.790922 0.960903 0.778535
H 1.092252 0.347402 0.485597
H -4.953541 -0.489069 -0.642269
H 4.416119 0.866638 -1.080541
H -2.389250 3.028199 1.700132
H -3.808920 3.869804 0.973477
H 1.277261 3.941139 0.320771
H 0.542317 2.653533 1.360215
H -0.921802 -3.420818 0.047239
H 3.575465 -3.679443 0.854621
H -5.038995 -2.929256 -1.276367
H 6.093299 -0.954017 -1.409074
H -3.024084 -4.391806 -0.929934
H 5.689895 -3.244194 -0.433357
H 0.128600 -1.422043 1.021633
H 1.789091 -2.611693 2.028935


