%chk=000237374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237374

0 1
S 2.558575 0.078127 0.909980
S -2.557754 0.078408 -0.908542
O 2.651847 1.197725 -0.002104
O 2.545924 0.295004 2.340695
O -2.651738 1.197675 0.003875
O -2.543899 0.295804 -2.339165
N 3.873350 -0.994251 0.621711
N -3.872801 -0.994031 -0.621744
C 0.000343 -0.053970 0.000830
C 1.171900 -0.918838 0.467931
C -1.171511 -0.918774 -0.465651
C 4.750815 -0.758177 -0.566064
C -4.751338 -0.758257 0.565299
C 5.606500 0.503808 -0.409393
C 5.628659 -1.998815 -0.774160
C -5.606849 0.503794 0.408194
C -5.629401 -1.998929 0.772264
H 0.334500 0.619779 -0.824135
H -0.333583 0.620470 0.825322
H 1.440162 -1.653508 -0.320698
H 0.858789 -1.552434 1.325017
H -1.440111 -1.652698 0.323555
H -0.858597 -1.553174 -1.322208
H 4.076858 -0.631332 -1.456931
H -4.078185 -0.631669 1.456811
H 4.419435 -1.267973 1.451497
H -4.418142 -1.267527 -1.452094
H 4.976221 1.408662 -0.373078
H 6.287355 0.631305 -1.257904
H 6.217821 0.490773 0.497692
H 6.186736 -1.927814 -1.714666
H 6.362756 -2.126565 0.029093
H 5.025247 -2.913741 -0.814264
H -4.976517 1.408642 0.372706
H -6.288475 0.631072 1.256119
H -6.217343 0.491023 -0.499452
H -6.188324 -1.928170 1.712286
H -6.362777 -2.126441 -0.031685
H -5.026048 -2.913881 0.812663


%chk=000237374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237374

0 1
S 2.799764 0.218791 0.355705
S -2.799508 0.219598 -0.355214
O 2.944714 1.148494 -0.977049
O 2.718663 0.872854 1.847897
O -2.944086 1.148428 0.978191
O -2.718380 0.874674 -1.846958
N 4.146184 -1.118249 0.310925
N -4.146209 -1.117211 -0.311315
C 0.000113 0.000280 0.000161
C 1.239437 -0.894724 0.113526
C -1.239384 -0.894401 -0.113934
C 5.272769 -0.776753 -0.627595
C -5.272851 -0.776280 0.627387
C 6.180443 0.362195 -0.113519
C 6.045808 -2.093371 -0.865151
C -6.181375 0.362127 0.113553
C -6.045071 -2.093341 0.864923
H 0.086661 0.649190 -0.891329
H -0.086306 0.648494 0.892172
H 1.474857 -1.462396 -0.799935
H 1.250081 -1.545456 1.002560
H -1.474912 -1.462778 0.799061
H -1.250170 -1.544399 -1.003501
H 4.796544 -0.457565 -1.573216
H -4.796734 -0.456963 1.573016
H 4.477235 -1.140354 1.299781
H -4.477276 -1.138766 -1.300183
H 5.607286 1.297529 0.011452
H 6.996048 0.558426 -0.832682
H 6.640717 0.093668 0.857167
H 6.841293 -1.926345 -1.613891
H 6.524836 -2.449882 0.065854
H 5.370535 -2.883489 -1.233800
H -5.608872 1.297866 -0.011280
H -6.997063 0.557701 0.832803
H -6.641547 0.093450 -0.857146
H -6.840538 -1.926801 1.613781
H -6.524021 -2.450049 -0.066049
H -5.369287 -2.883092 1.233434


