%chk=000237196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000237196

0 1
O -4.365222 -1.118007 -1.003727
O 2.624744 0.027523 -0.572597
O -4.075359 1.047247 -1.596126
N -3.647055 0.333483 0.631301
C -3.551270 -1.020296 1.252426
C -2.638328 1.356280 1.012291
C -4.133496 -1.954072 0.172385
C -1.226247 0.988155 0.637346
C -3.997845 0.202200 -0.743708
C 4.867156 -0.618548 -0.552275
C -0.816944 1.077768 -0.709841
C -0.317207 0.565032 1.610349
C 3.663496 -0.407398 0.362591
C 1.381700 0.321997 -0.074995
C 6.090248 -1.086066 0.244727
C 0.478100 0.747086 -1.076509
C 0.997262 0.226643 1.267895
C 7.297753 -1.299369 -0.664196
H -4.160525 -1.024897 2.180659
H -2.511037 -1.292144 1.527153
H -2.738833 1.531155 2.107887
H -2.936377 2.314598 0.515095
H -3.442977 -2.743628 -0.163091
H -5.117814 -2.375437 0.431691
H 5.090620 0.321603 -1.097077
H 4.610440 -1.353006 -1.342905
H -1.531955 1.408925 -1.470423
H -0.623418 0.499175 2.654503
H 3.327566 -1.336143 0.852316
H 3.823357 0.391185 1.105774
H 5.856883 -2.027537 0.780691
H 6.340270 -0.342104 1.027191
H 0.815669 0.807686 -2.109465
H 1.688728 -0.095528 2.037570
H 7.099468 -2.057815 -1.430828
H 7.581534 -0.376869 -1.184618
H 8.170715 -1.633477 -0.091557


%chk=000237196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000237196

0 1
O -5.131034 -0.791838 -0.810453
O 2.747909 -0.019750 -0.718775
O -4.524194 1.445949 -1.219618
N -3.602608 0.189613 0.575579
C -3.574305 -1.222364 0.987706
C -2.615936 1.186625 1.027895
C -4.848518 -1.764765 0.283382
C -1.186473 0.862487 0.604234
C -4.410998 0.408651 -0.536804
C 5.092034 -0.599323 -0.571140
C -0.821713 0.893819 -0.770640
C -0.197973 0.523682 1.554626
C 3.817273 -0.359295 0.239839
C 1.472052 0.256624 -0.208361
C 6.292601 -0.968701 0.331267
C 0.489278 0.593752 -1.176139
C 1.128626 0.221253 1.165833
C 7.584457 -1.209076 -0.478829
H -3.633393 -1.325945 2.086194
H -2.649377 -1.721499 0.636436
H -2.675970 1.270997 2.129847
H -2.945227 2.148510 0.593601
H -4.708490 -2.753561 -0.177975
H -5.721697 -1.777721 0.958847
H 5.324494 0.312428 -1.153970
H 4.905882 -1.409115 -1.302457
H -1.573739 1.163990 -1.521870
H -0.458320 0.499873 2.620745
H 3.530762 -1.269014 0.809024
H 3.953025 0.478501 0.956165
H 6.049502 -1.878463 0.917604
H 6.465194 -0.157857 1.068409
H 0.781311 0.620733 -2.230376
H 1.869786 -0.032748 1.929013
H 7.452200 -2.036818 -1.200391
H 7.865699 -0.306201 -1.052387
H 8.431683 -1.468032 0.181845


