%chk=000205938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205938

0 1
S -2.737352 -1.339717 1.480955
O -3.718658 -2.366682 1.930961
O 0.973913 -0.163239 2.129509
N 0.015046 -0.501940 0.080749
C -0.311121 -1.929653 0.352312
C 0.517866 -2.858781 -0.574134
C -1.801771 -2.161691 0.125834
C 1.966688 -2.465176 -0.660312
C 0.792682 0.233147 0.993037
C 2.751696 -2.367124 0.499599
C 2.543529 -2.191396 -1.909931
C -3.656228 -0.167013 0.491887
C 1.295002 1.537663 0.453197
C 4.094982 -1.997048 0.407509
C 3.890018 -1.825103 -1.996438
C -3.032695 1.012050 0.087657
C -4.999586 -0.407895 0.208722
C 4.667904 -1.724884 -0.839742
C 0.785353 2.739531 0.958154
C 2.300249 1.540420 -0.522610
C -3.767680 1.963014 -0.629476
C -5.732826 0.545062 -0.507089
C -5.115123 1.728013 -0.926994
C 1.275667 3.954158 0.469161
C 2.788402 2.758596 -1.002852
C 2.274328 3.963404 -0.510377
H -0.036332 -2.149674 1.425386
H 0.443998 -3.900660 -0.193652
H 0.063376 -2.892688 -1.584621
H -2.133442 -1.817167 -0.866447
H -2.044157 -3.242448 0.155675
H -0.031098 -0.211807 -0.893730
H 2.311027 -2.562600 1.478240
H 1.948991 -2.270567 -2.817203
H 4.696724 -1.917760 1.312817
H 4.333480 -1.620870 -2.969665
H -1.985952 1.204121 0.325310
H -5.474721 -1.333725 0.552673
H 5.715607 -1.439979 -0.907728
H 0.020350 2.726189 1.735304
H 2.709333 0.597380 -0.893863
H -3.292414 2.887135 -0.952166
H -6.782560 0.366118 -0.733073
H -5.685334 2.470455 -1.483802
H 0.883868 4.893239 0.857673
H 3.573051 2.769033 -1.758018
H 2.656919 4.911553 -0.887100


%chk=000205938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205938

0 1
S -2.779565 -1.347096 1.585805
O -4.029377 -2.451200 1.775895
O 0.973857 -0.037501 2.144206
N 0.117766 -0.542723 0.038084
C -0.176337 -1.948297 0.361053
C 0.620353 -2.937152 -0.548824
C -1.674503 -2.257560 0.242322
C 2.119928 -2.673970 -0.636203
C 0.730575 0.314617 0.946037
C 2.896679 -2.388127 0.516989
C 2.776012 -2.754418 -1.891071
C -3.560109 -0.012404 0.449246
C 1.049638 1.697971 0.440951
C 4.291661 -2.193734 0.414316
C 4.172630 -2.562578 -1.996750
C -2.908024 1.205663 0.181869
C -4.850824 -0.306013 -0.019448
C 4.936659 -2.281842 -0.841378
C 1.132882 2.742420 1.397235
C 1.298546 1.985410 -0.927052
C -3.577912 2.159148 -0.623382
C -5.507070 0.653177 -0.825482
C -4.870038 1.880412 -1.129414
C 1.430461 4.059408 0.990068
C 1.603999 3.303361 -1.332399
C 1.662057 4.344509 -0.376907
H 0.144495 -2.073991 1.411827
H 0.441662 -3.956904 -0.150388
H 0.184263 -2.924882 -1.568217
H -2.102302 -1.980506 -0.736077
H -1.907161 -3.311672 0.469935
H -0.106244 -0.203751 -0.899369
H 2.416606 -2.296182 1.497984
H 2.189915 -2.975529 -2.792503
H 4.873067 -1.967458 1.314958
H 4.660909 -2.632019 -2.975523
H -1.917824 1.427218 0.593092
H -5.308069 -1.261080 0.273546
H 6.019169 -2.130659 -0.918126
H 0.971124 2.494100 2.451278
H 1.308447 1.183012 -1.674851
H -3.093294 3.116798 -0.843256
H -6.514123 0.448108 -1.205092
H -5.385184 2.624217 -1.747607
H 1.486775 4.861081 1.734334
H 1.809863 3.515182 -2.387268
H 1.898961 5.366428 -0.693147


