%chk=000290749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290749

0 1
S 3.481244 -1.084732 -1.400948
O -1.783181 1.801539 -0.287191
O 2.552068 1.678376 -2.067321
O 3.666638 1.752170 -0.115590
O -0.663951 0.835749 1.479386
N 0.305286 1.051520 -0.631532
C 4.401913 -1.890294 0.012178
C 1.744491 -0.965478 -0.895494
C 1.587155 0.421769 -0.267606
C 3.904943 -3.320987 0.139857
C 5.841866 -1.817771 -0.479017
C 4.186844 -1.086501 1.280337
C 2.741895 1.317480 -0.756011
C -0.704226 1.180228 0.314521
C -2.983165 1.958586 0.540204
C -3.804489 0.702914 0.484003
C -4.871756 0.595728 -0.418551
C -3.502986 -0.366341 1.341050
C -5.640535 -0.571507 -0.453683
C -4.273011 -1.530813 1.301033
C -5.343628 -1.633704 0.406089
H 1.127683 -1.086875 -1.810745
H 1.438329 -1.770350 -0.205457
H 1.660342 0.356224 0.861245
H 3.996842 -3.878246 -0.802370
H 4.484772 -3.872476 0.892798
H 2.854760 -3.378155 0.448966
H 6.185719 -0.780835 -0.607552
H 5.990359 -2.333228 -1.437362
H 6.524399 -2.287233 0.242082
H 3.167458 -1.168566 1.672601
H 4.857817 -1.423861 2.082051
H 4.397556 -0.011669 1.134047
H 0.169248 1.348316 -1.599379
H -2.679667 2.226396 1.570860
H -3.458730 2.825787 0.043243
H 3.297252 2.235263 -2.421487
H -5.101947 1.416727 -1.095668
H -2.656285 -0.285699 2.030191
H -6.470491 -0.653129 -1.153401
H -4.038613 -2.358989 1.967918
H -5.944419 -2.541131 0.378005


%chk=000290749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290749

0 1
S 3.755201 -1.029286 -1.342854
O -1.509514 1.902753 -0.005435
O 2.081381 2.457262 -2.991259
O 3.934552 2.595117 -1.588649
O 0.141902 0.723122 1.210248
N 0.576797 1.686396 -0.880756
C 3.710337 -1.990539 0.352907
C 2.044140 -0.250833 -1.430607
C 1.974436 1.224326 -0.923044
C 2.693348 -3.145782 0.256999
C 5.151925 -2.530683 0.481227
C 3.370740 -1.029394 1.510031
C 2.793138 2.156394 -1.810429
C -0.225079 1.374824 0.191981
C -2.513340 1.571453 1.066104
C -3.229183 0.268176 0.784076
C -4.437033 0.258373 0.040976
C -2.703548 -0.959134 1.266085
C -5.109036 -0.956263 -0.221426
C -3.374762 -2.174012 1.004695
C -4.578715 -2.175536 0.261248
H 1.721620 -0.304848 -2.483723
H 1.353015 -0.852272 -0.817736
H 2.397104 1.271467 0.092587
H 2.944812 -3.826475 -0.574417
H 2.697198 -3.725917 1.201145
H 1.663432 -2.775334 0.104086
H 5.884414 -1.705561 0.528485
H 5.415017 -3.183666 -0.370510
H 5.239964 -3.125265 1.410560
H 2.344101 -0.627050 1.437372
H 3.441551 -1.576815 2.471332
H 4.083158 -0.186173 1.544008
H 0.178962 2.158941 -1.694454
H -1.977779 1.542578 2.030419
H -3.198091 2.433124 1.029362
H 2.631921 3.046610 -3.573474
H -4.849451 1.203765 -0.332871
H -1.765663 -0.949312 1.832613
H -6.042655 -0.953159 -0.794971
H -2.963713 -3.116910 1.382491
H -5.100805 -3.118261 0.061876


