%chk=000188678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188678

0 1
O 2.546309 2.217313 0.140596
O -0.669328 -1.523582 0.033480
O -5.037747 1.622260 -0.121590
N 5.681234 -0.655157 0.164975
N 0.938317 0.554914 0.079544
C 4.727077 0.493055 0.255924
C 3.298575 -0.079612 0.163373
C -1.508990 0.693232 -0.006313
C 6.925201 -0.293128 -0.591582
C 6.002189 -1.204124 1.525378
C -2.669738 1.508525 -0.047655
C -0.240558 1.332580 0.036613
C -3.010142 -1.376995 -0.063705
C -4.160384 -0.572629 -0.104635
C 2.279858 1.032894 0.129065
C -1.642802 -0.777028 -0.008370
C -4.050159 0.915723 -0.093809
C -2.583239 2.891547 -0.047002
C -0.169084 2.755537 0.036192
C 6.613326 -0.156574 -2.082309
C 6.522498 -2.636649 1.398665
C -1.318297 3.515270 -0.004814
C -3.136627 -2.771508 -0.074714
C -5.427503 -1.163939 -0.156088
C -4.405959 -3.360512 -0.126523
C -5.548795 -2.559045 -0.167104
H 4.886857 1.204619 -0.586415
H 4.836069 1.095444 1.183099
H 3.109870 -0.774658 1.008459
H 3.224754 -0.718344 -0.746887
H 7.404222 0.635323 -0.212315
H 7.664497 -1.114149 -0.448659
H 6.734690 -0.577952 2.079570
H 5.069272 -1.210104 2.131934
H 0.796949 -0.486758 0.071142
H -3.494155 3.497050 -0.078994
H 0.814462 3.247161 0.068923
H 7.532022 -0.044925 -2.667040
H 5.974828 0.709342 -2.292583
H 6.082306 -1.043554 -2.453759
H 6.608161 -3.112748 2.380521
H 7.506821 -2.675423 0.918196
H 5.845499 -3.246031 0.784111
H -1.258110 4.605926 -0.004920
H -2.234512 -3.391085 -0.042467
H -6.315897 -0.525144 -0.187300
H -4.498419 -4.447025 -0.135060
H -6.537916 -3.016434 -0.207447


%chk=000188678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188678

0 1
O 2.611210 2.259774 -0.704343
O -0.538637 -1.463169 0.115593
O -5.121498 1.608808 -0.064586
N 5.643747 -0.688119 0.124717
N 0.935309 0.640087 -0.339076
C 4.570930 0.324330 0.278998
C 3.280595 -0.085687 -0.469868
C -1.508652 0.742681 -0.177953
C 7.007757 -0.092290 0.172519
C 5.483543 -1.840295 1.054089
C -2.710953 1.525050 -0.220646
C -0.240609 1.408089 -0.376968
C -2.928439 -1.340754 0.262014
C -4.121488 -0.564685 0.218360
C 2.263470 1.055826 -0.511478
C -1.590077 -0.714757 0.066463
C -4.061343 0.905715 -0.025011
C -2.658293 2.914692 -0.450492
C -0.213307 2.816649 -0.606505
C 7.374870 0.667127 -1.116880
C 6.153508 -3.128383 0.538064
C -1.411334 3.549863 -0.641253
C -3.008767 -2.736763 0.495223
C -5.377730 -1.190496 0.407246
C -4.261923 -3.352910 0.682394
C -5.449753 -2.578579 0.638337
H 4.908652 1.281734 -0.151346
H 4.333599 0.523950 1.353550
H 2.833232 -0.999881 -0.037551
H 3.569824 -0.329834 -1.510596
H 7.126559 0.583271 1.057850
H 7.729224 -0.917816 0.311006
H 5.869683 -1.594569 2.076523
H 4.400648 -2.032995 1.170691
H 0.745689 -0.371819 -0.164331
H -3.599894 3.470755 -0.474794
H 0.755538 3.297966 -0.751580
H 8.404813 1.065067 -1.050649
H 6.698335 1.521054 -1.300147
H 7.310924 -0.010172 -1.986258
H 5.979757 -3.963727 1.242053
H 7.246278 -3.009506 0.425054
H 5.738680 -3.401638 -0.447692
H -1.370068 4.629482 -0.819584
H -2.078227 -3.311263 0.523933
H -6.276370 -0.566952 0.368036
H -4.319207 -4.431620 0.862304
H -6.422304 -3.060394 0.784271


