%chk=000291471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291471

0 1
S 4.220279 -0.862128 -0.829940
S -2.984856 1.310032 0.958302
O 5.265706 -0.603140 -1.801060
O 3.684103 -2.215516 -0.743339
O -3.081629 2.329004 -0.082294
O -2.430306 1.683647 2.242689
N 1.204935 2.287285 -2.299482
N -0.997631 -2.503453 -0.761503
N 2.965537 0.243935 -1.164027
N -2.111548 -0.026430 0.356686
C 0.780868 1.235916 -1.549044
C -0.354337 -1.302781 -0.749580
C 1.683640 0.038703 -1.240935
C -1.074654 0.009050 -0.434386
C -0.506124 1.168523 -1.039606
C 0.994727 -1.195680 -1.035720
C 2.581000 2.427702 -2.826440
C 0.334000 3.461818 -2.544857
C -2.424798 -2.677722 -0.412262
C -0.263933 -3.769244 -1.000906
C 4.750959 -0.360395 0.740881
C -4.555792 0.607587 1.192593
C 4.139626 -0.883450 1.884002
C -4.816650 -0.147682 2.338520
C 5.790504 0.566144 0.859552
C -5.556230 0.810694 0.238310
C 4.563563 -0.472363 3.151369
C -6.082352 -0.713181 2.526952
C 6.216567 0.978244 2.126310
C -6.822172 0.246924 0.425137
C 5.600290 0.460074 3.270438
C -7.082744 -0.515627 1.569248
H -1.160754 2.052665 -1.095485
H 1.613163 -2.106450 -1.102890
H 2.912480 1.498917 -3.330739
H 3.303392 2.619602 -2.008567
H 2.644751 3.248545 -3.556137
H 0.811576 4.387046 -2.179575
H -0.644711 3.370565 -2.023303
H 0.124575 3.563220 -3.623428
H -2.594839 -2.496173 0.667385
H -2.771901 -3.691973 -0.660616
H -3.056488 -1.957204 -0.964862
H -0.443620 -4.489483 -0.185468
H 0.836202 -3.606621 -1.056946
H -0.579439 -4.217946 -1.958410
H 3.334869 -1.620102 1.790858
H -4.036996 -0.289676 3.094176
H 6.277326 0.963449 -0.038008
H -5.352570 1.419865 -0.649808
H 4.086340 -0.875932 4.042760
H -6.288850 -1.299662 3.420314
H 7.026019 1.699771 2.220542
H -7.603925 0.406164 -0.315279
H 5.929358 0.782926 4.258664
H -8.070203 -0.953802 1.716612


%chk=000291471-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291471

0 1
S 3.761144 -1.279078 0.495709
S -3.785125 1.308078 0.113538
O 3.776062 -2.386157 -0.715955
O 3.371306 -1.767789 2.005346
O -3.707821 2.300115 -1.191702
O -3.505855 1.932619 1.597257
N 1.163246 2.587511 -0.482588
N -1.140002 -2.617948 -0.308468
N 2.777159 0.284326 0.038469
N -2.773086 -0.287381 -0.123693
C 0.618162 1.323570 -0.389891
C -0.594215 -1.350954 -0.301704
C 1.459796 0.085393 -0.193591
C -1.442924 -0.103130 -0.282405
C -0.773360 1.157383 -0.415137
C 0.796269 -1.184238 -0.249975
C 2.578630 2.909922 -0.761555
C 0.263651 3.759660 -0.403311
C -2.540951 -2.956248 -0.639620
C -0.254558 -3.775351 -0.051156
C 5.467086 -0.482001 0.562536
C -5.492672 0.511677 0.127407
C 5.886879 0.067804 1.783836
C -5.999208 0.070475 1.359784
C 6.256833 -0.512714 -0.597184
C -6.196328 0.432139 -1.084292
C 7.180727 0.636999 1.835518
C -7.292650 -0.501818 1.369239
C 7.547953 0.061134 -0.525860
C -7.488699 -0.142662 -1.054679
C 8.003297 0.637253 0.683838
C -8.029567 -0.611907 0.165937
H -1.412371 2.028317 -0.564979
H 1.440551 -2.064004 -0.272800
H 3.107065 2.037869 -1.165217
H 3.105938 3.214067 0.162319
H 2.610657 3.742837 -1.487856
H 0.874063 4.662239 -0.246369
H -0.435824 3.657382 0.444725
H -0.329067 3.889149 -1.330227
H -3.159874 -3.045435 0.272409
H -2.545452 -3.919828 -1.180093
H -2.996917 -2.178556 -1.265491
H -0.877598 -4.657119 0.163166
H 0.392912 -3.583212 0.822162
H 0.392823 -4.001308 -0.921302
H 5.233880 0.029225 2.661657
H -5.411135 0.192513 2.275047
H 5.882598 -0.990208 -1.508502
H -5.757249 0.827753 -2.005877
H 7.544139 1.073270 2.771802
H -7.722371 -0.855242 2.312353
H 8.194794 0.052535 -1.409400
H -8.069954 -0.218178 -1.979629
H 9.005546 1.077022 0.732377
H -9.032031 -1.053570 0.181473


