%chk=000183304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183304

0 1
S -2.281127 -2.319003 -0.018991
O 2.033426 -1.330092 2.480003
N 0.093653 0.247829 1.153076
N 0.817624 3.694921 -0.193718
N 0.774222 -0.828052 -0.952172
C -0.169054 1.539677 0.435877
C 1.148176 2.340487 0.360216
C -1.161692 -0.385677 1.680739
C 0.894088 -0.695451 0.392739
C -2.194008 -0.714178 0.665043
C 0.731071 3.654428 -1.684373
C 1.834628 4.700765 0.236264
C 1.856209 -1.451202 1.129310
C -3.167608 0.073116 0.125444
C 2.671103 -2.376238 0.463654
C -3.992733 -0.616826 -0.840698
C -3.642843 -1.918632 -1.025545
C 1.577870 -1.718279 -1.588947
C 2.522671 -2.512466 -0.917073
H -0.594862 1.385207 -0.581077
H -0.921594 2.118769 1.014921
H 1.572357 2.447939 1.381675
H 1.903779 1.789833 -0.238796
H -1.582831 0.325870 2.434842
H -0.864621 -1.294867 2.258218
H -0.009979 2.895233 -1.985401
H 1.676644 3.426461 -2.197460
H 0.364799 4.628558 -2.044767
H 1.550185 5.688589 -0.160821
H 2.864671 4.485882 -0.082680
H 1.817579 4.779673 1.335097
H -3.334815 1.112323 0.372058
H 3.398410 -2.959895 1.026245
H -4.803938 -0.113970 -1.349806
H -4.087895 -2.648266 -1.678176
H 1.441162 -1.790437 -2.673233
H 3.135137 -3.223203 -1.468357
H 1.524935 -0.540829 2.834869


%chk=000183304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183304

0 1
S -2.204302 -2.237981 -0.305838
O 1.744820 -1.498912 2.493005
N 0.113572 0.214900 1.071542
N 0.864170 3.664200 -0.345437
N 1.049315 -0.606375 -1.023905
C -0.169476 1.526927 0.421711
C 1.080265 2.432454 0.449677
C -1.101494 -0.445503 1.683081
C 0.969116 -0.672318 0.329756
C -2.228926 -0.747977 0.724742
C 1.020649 3.441487 -1.799337
C 1.679760 4.803160 0.120545
C 1.768471 -1.576865 1.097423
C -3.369881 0.000405 0.462893
C 2.595392 -2.501015 0.435288
C -4.237012 -0.571951 -0.538554
C -3.764565 -1.768986 -1.052467
C 1.878804 -1.484299 -1.662609
C 2.637031 -2.461476 -0.979511
H -0.521589 1.379442 -0.615973
H -0.979937 2.020150 0.986116
H 1.284595 2.720130 1.497771
H 1.967565 1.855173 0.089853
H -1.486011 0.240357 2.460224
H -0.766558 -1.368813 2.189681
H 0.401472 2.589560 -2.125142
H 2.079259 3.221633 -2.091134
H 0.689655 4.340049 -2.350861
H 1.407052 5.709725 -0.450139
H 2.782142 4.643636 -0.000865
H 1.476926 4.999598 1.188422
H -3.587342 0.940090 0.978966
H 3.207025 -3.197321 1.016222
H -5.174582 -0.113127 -0.861617
H -4.204059 -2.412656 -1.812436
H 1.921919 -1.395690 -2.753456
H 3.267715 -3.159178 -1.539042
H 1.303844 -0.624638 2.709604


