%chk=000262393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000262393

0 1
S 2.951171 -0.512806 -0.254145
O -0.953277 2.518481 0.194170
N 0.415014 -1.311823 -0.028950
N 0.808920 1.053787 0.012723
N -1.832492 -2.215042 0.051419
N -2.915474 0.375701 0.024295
C -0.988209 -1.102137 0.001657
C -1.479372 0.196148 0.055624
C 1.318958 -0.228082 -0.074766
C -0.612801 1.356165 0.107456
C 0.960597 -2.694326 0.025230
C 1.765086 2.194664 -0.006185
H 0.338557 -3.344858 0.662021
H 1.977572 -2.710710 0.477959
H 1.053322 -3.115921 -0.990430
H 1.206966 3.146853 0.090956
H 2.335127 2.215588 -0.952810
H 2.482623 2.120933 0.831080
H -2.832400 -2.004560 -0.017824
H -1.560398 -3.056768 -0.435698
H -3.159679 1.055658 -0.698070
H -3.228510 0.767255 0.914686


%chk=000262393-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000262393

0 1
S 3.078216 -0.510228 -0.002106
O -0.981406 2.569426 0.047924
N 0.440397 -1.308424 -0.013175
N 0.835357 1.043647 0.012108
N -1.808926 -2.144987 -0.078439
N -2.897943 0.355861 0.037706
C -0.940690 -1.081492 -0.021537
C -1.462858 0.214994 0.040842
C 1.375181 -0.237869 0.000892
C -0.591337 1.359230 0.040469
C 0.920833 -2.706653 -0.028185
C 1.762075 2.198400 0.011279
H 0.500906 -3.264060 0.828605
H 2.018077 -2.682385 0.057812
H 0.652342 -3.202264 -0.979604
H 1.140668 3.105808 0.017175
H 2.403786 2.164848 -0.884591
H 2.413445 2.160106 0.900009
H -2.792217 -1.859014 -0.141432
H -1.521300 -3.110671 -0.193764
H -3.209346 1.073202 -0.630215
H -3.283958 0.566724 0.968624


