%chk=000217742.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217742

0 1
S 0.581839 -3.517883 0.800317
S -0.640779 -3.497966 -0.849467
O 6.546184 -0.506710 -0.607530
O 3.400235 2.711047 0.540097
O -3.354168 2.773984 -0.517452
O -6.553294 -0.403259 0.595524
N 4.658444 0.775731 0.018862
N -4.644515 0.854305 -0.017399
C 3.666221 -0.254899 0.188412
C -3.669796 -0.190856 -0.199096
C 3.912644 -1.551045 -0.303728
C -2.454551 0.090920 -0.852308
C 2.455498 0.039872 0.844279
C -3.937745 -1.488137 0.278585
C 6.041654 0.554207 -0.371411
C 4.432999 2.199303 0.212683
C -4.395269 2.275987 -0.195286
C -6.031116 0.651636 0.371083
C 1.750282 -2.249056 0.519843
C -1.787727 -2.213024 -0.554029
C 2.948784 -2.545674 -0.135553
C -1.514712 -0.925603 -1.025365
C 1.498639 -0.962620 1.005533
C -2.990785 -2.496847 0.098672
C 6.670150 1.931677 -0.409424
C 5.764491 2.857265 -0.084116
C -5.715433 2.952811 0.109596
C -6.636389 2.038944 0.424941
H 4.850764 -1.793900 -0.810525
H -2.230927 1.096167 -1.220487
H 2.248552 1.044529 1.223650
H -4.879610 -1.720903 0.783166
H 3.139298 -3.551142 -0.519413
H -0.570862 -0.706269 -1.531434
H 0.558317 -0.733182 1.513685
H -3.198006 -3.503236 0.471295
H 7.712221 2.039822 -0.675758
H 5.860951 3.931550 -0.012390
H -5.793874 4.029303 0.050021
H -7.676408 2.161552 0.693024


%chk=000217742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217742

0 1
S 0.603109 -3.581600 0.956457
S -0.663842 -3.557682 -1.012508
O 6.770248 -0.457146 0.255020
O 3.306449 2.659900 -0.522555
O -3.260561 2.713247 0.533013
O -6.776706 -0.342747 -0.251967
N 4.734097 0.782622 -0.057736
N -4.719836 0.862611 0.059523
C 3.755969 -0.244364 0.172538
C -3.759179 -0.177744 -0.183810
C 4.035443 -1.584218 -0.203032
C -2.515591 0.135358 -0.790499
C 2.514296 0.083505 0.775401
C -4.057984 -1.516082 0.182263
C 6.160517 0.606156 -0.004064
C 4.443678 2.153306 -0.382605
C -4.406285 2.226098 0.393271
C -6.149089 0.709182 0.010786
C 1.828606 -2.265893 0.618810
C -1.866606 -2.225886 -0.657048
C 3.073435 -2.587096 0.023713
C -1.574557 -0.887658 -1.020933
C 1.556014 -0.926268 0.992592
C -3.113394 -2.532228 -0.058188
C 6.766564 1.948743 -0.307876
C 5.770607 2.846124 -0.528161
C -5.721454 2.937509 0.554744
C -6.732460 2.057676 0.332235
H 4.995747 -1.841759 -0.654284
H -2.279903 1.164415 -1.069498
H 2.293520 1.113837 1.061792
H -5.019934 -1.762090 0.636452
H 3.281182 -3.621581 -0.266063
H -0.615433 -0.653051 -1.492931
H 0.598282 -0.680259 1.461662
H -3.336314 -3.565756 0.223669
H 7.846868 2.091712 -0.325901
H 5.832522 3.905488 -0.776613
H -5.765525 3.995105 0.814308
H -7.810299 2.216915 0.359121


