%chk=000232717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232717

0 1
S -2.629371 -0.533790 1.146794
N -0.335935 0.482671 0.483499
N 2.471673 0.376576 -0.190118
C 0.151997 -0.324355 -0.682273
C 0.554207 1.670684 0.701665
C 1.586801 -0.813527 -0.397062
C 1.988513 1.179634 0.982678
C -1.750302 0.873767 0.330438
C 3.889122 0.103947 -0.147832
C 4.434371 -1.189055 -0.071192
C 4.757792 1.211158 -0.280242
C 5.818544 -1.371899 -0.137214
C 6.133818 1.018376 -0.335956
C 6.680358 -0.276127 -0.266349
C -4.267190 -0.304395 0.537109
C 8.161503 -0.464590 -0.333357
C -4.606097 -0.755190 -0.740504
C -5.225269 0.271895 1.373770
C -6.897025 -0.040988 -0.361328
C -5.921588 -0.620621 -1.190587
C -6.541684 0.401750 0.923870
C -8.307545 0.086863 -0.836505
H 0.132352 0.244229 -1.637522
H -0.515110 -1.206965 -0.801482
H 0.182525 2.230806 1.586712
H 0.559615 2.368733 -0.163606
H 1.578188 -1.500077 0.478873
H 1.958026 -1.384183 -1.275882
H 2.656460 2.054493 1.128632
H 2.005401 0.587621 1.925406
H -2.111571 0.989515 -0.709474
H -1.989655 1.805635 0.880204
H 3.795168 -2.060402 0.045167
H 4.344397 2.215250 -0.359272
H 6.224541 -2.380658 -0.081929
H 6.794317 1.877603 -0.440593
H 8.671534 0.092812 0.464670
H 8.459405 -1.515815 -0.232163
H 8.563603 -0.106507 -1.291741
H -3.855762 -1.215669 -1.383599
H -4.954102 0.615877 2.373059
H -6.191348 -0.971450 -2.184252
H -7.292897 0.845714 1.573502
H -8.819568 0.954043 -0.398315
H -8.374417 0.193129 -1.927453
H -8.890594 -0.805619 -0.562047


%chk=000232717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232717

0 1
S -1.701606 -0.238251 0.323261
N -0.312910 2.025182 -0.970815
N 2.288304 0.847551 -0.438069
C 0.463329 1.363090 -2.039726
C 0.558588 2.556579 0.098836
C 1.429209 0.277603 -1.498217
C 1.509994 1.473370 0.661271
C -1.610504 1.570151 -0.660122
C 3.529606 0.218139 -0.139361
C 3.919007 -1.011738 -0.744132
C 4.460885 0.830787 0.753385
C 5.181675 -1.585620 -0.475347
C 5.708369 0.238577 1.020411
C 6.103698 -0.983000 0.412319
C -3.530905 -0.418148 0.327809
C 7.454246 -1.611059 0.712374
C -4.194744 -1.032698 -0.763096
C -4.297953 0.060465 1.418941
C -6.380248 -0.691652 0.329661
C -5.601566 -1.164248 -0.758846
C -5.704257 -0.076312 1.415548
C -7.889089 -0.867806 0.346887
H 1.062749 2.136478 -2.559168
H -0.234286 0.911675 -2.766833
H -0.071868 2.962247 0.909544
H 1.165453 3.380323 -0.325531
H 0.843694 -0.597091 -1.132293
H 2.067080 -0.056105 -2.335262
H 2.194452 1.940144 1.386658
H 0.913842 0.704684 1.204332
H -2.212329 1.368769 -1.558979
H -2.134234 2.243526 0.034389
H 3.232905 -1.544247 -1.409175
H 4.223620 1.793543 1.218477
H 5.444523 -2.534793 -0.959424
H 6.399021 0.745009 1.707201
H 7.531742 -1.921634 1.772281
H 7.627375 -2.506519 0.090312
H 8.283637 -0.903944 0.520564
H -3.605226 -1.413677 -1.604245
H -3.788440 0.530241 2.267194
H -6.100400 -1.643887 -1.610282
H -6.283707 0.298264 2.268651
H -8.385452 -0.061028 0.914733
H -8.308719 -0.875613 -0.674591
H -8.171358 -1.826426 0.824675


