%chk=000291480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291480

0 1
I -3.811669 0.484898 2.422728
S 1.433331 0.199303 -1.543819
O 0.610275 0.187786 -2.737363
O 2.809337 -0.251245 -1.644625
O 2.431187 -2.792756 2.143537
O 2.484743 -0.568800 1.918203
N 0.739558 -0.884637 -0.382862
C -0.691733 -1.024792 -0.275089
C -1.366985 -0.372654 0.787580
C -1.414386 -1.801425 -1.215966
C 1.549516 -2.007934 0.107779
C -3.493699 -1.267893 -0.047881
C -2.762283 -0.503447 0.870264
C -2.802526 -1.911840 -1.084583
C 1.329005 1.740467 -0.790864
C -0.632831 0.444344 1.792535
C -0.737741 -2.476428 -2.358977
C -4.974243 -1.417823 0.039619
C 2.130156 2.039249 0.316571
C 0.442630 2.698930 -1.298537
C 2.179355 -1.635602 1.440778
C 2.047833 3.301045 0.914559
C 0.360100 3.958060 -0.700413
C 1.164623 4.258178 0.405915
H 2.388639 -2.256305 -0.600701
H 0.947709 -2.941884 0.232236
H -3.360695 -2.504749 -1.808195
H -0.907874 1.509251 1.717945
H -0.862094 0.125239 2.822692
H 0.463154 0.398136 1.692227
H 0.133706 -3.067228 -2.054407
H -1.403538 -3.145933 -2.917738
H -0.373964 -1.714133 -3.084629
H -5.278957 -1.855442 1.005014
H -5.482301 -0.441985 -0.038799
H -5.387421 -2.059139 -0.749212
H 2.817204 1.285513 0.728706
H -0.184270 2.462446 -2.167084
H 2.671902 3.533065 1.776874
H -0.328426 4.704359 -1.093916
H 1.100669 5.242327 0.872382
H 2.873805 -2.630019 3.018212


%chk=000291480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291480

0 1
I -4.187082 0.610426 2.241113
S 1.296219 0.279671 -1.542703
O 0.252166 0.401451 -2.792581
O 2.816440 -0.266275 -1.799035
O 2.881369 -3.058106 1.768887
O 2.647490 -0.753310 1.935597
N 0.611453 -0.889986 -0.116470
C -0.809626 -1.078519 -0.137762
C -1.578392 -0.338778 0.828879
C -1.449117 -1.958415 -1.070735
C 1.529999 -2.012859 0.091864
C -3.654866 -1.388313 -0.074284
C -2.986118 -0.514748 0.821948
C -2.850277 -2.097268 -1.002292
C 1.352266 1.974612 -0.713650
C -0.887340 0.565007 1.826690
C -0.679481 -2.707371 -2.143831
C -5.155747 -1.583826 -0.086080
C 2.187715 2.149877 0.401338
C 0.567502 2.986849 -1.287932
C 2.375967 -1.822251 1.351712
C 2.236291 3.443190 0.971203
C 0.633453 4.271394 -0.699077
C 1.465541 4.496726 0.422722
H 2.257034 -2.094969 -0.749078
H 0.994951 -2.973983 0.168609
H -3.349594 -2.768652 -1.710383
H -1.159850 1.623667 1.656664
H -1.199189 0.319544 2.858411
H 0.203871 0.463091 1.745462
H 0.035768 -3.438771 -1.724833
H -1.372065 -3.265066 -2.795959
H -0.111678 -2.004736 -2.779581
H -5.523119 -1.943905 0.892866
H -5.682961 -0.633118 -0.289137
H -5.451200 -2.314246 -0.857358
H 2.747954 1.312318 0.828489
H -0.060465 2.772822 -2.158559
H 2.871058 3.620781 1.845361
H 0.037521 5.088803 -1.117983
H 1.511557 5.494523 0.872496
H 3.485380 -2.928775 2.549684


