%chk=000267941.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267941

0 1
O -0.064694 -0.887280 0.093804
O -1.055613 1.179974 0.549139
N -2.260821 -0.679311 -0.260228
N 1.146796 -0.208444 -0.150228
C 3.511049 -0.232285 0.016501
C 2.187469 -0.858847 0.289732
C 4.538943 -0.997069 -0.557179
C 3.730438 1.115518 0.338541
C -3.612979 -0.212952 -0.175141
C 5.784384 -0.412717 -0.797986
C 4.981339 1.691030 0.096932
C 2.177902 -2.160196 1.025906
C -4.628794 -1.108626 -0.567637
C -3.929303 1.081088 0.271226
C 6.007792 0.929174 -0.469030
C -5.959451 -0.692640 -0.508232
C -5.268050 1.472280 0.322472
C -6.284933 0.593183 -0.064187
C -1.138762 0.050056 0.153549
H 4.366216 -2.039084 -0.820257
H 2.922626 1.712752 0.767130
H 6.582697 -1.002923 -1.245311
H 5.152062 2.737527 0.346991
H 2.981141 -2.214684 1.774440
H 1.222582 -2.318766 1.553065
H 2.307670 -3.007220 0.336292
H -4.389440 -2.109946 -0.914879
H -3.140536 1.777805 0.571733
H 6.980827 1.380466 -0.657470
H -2.111402 -1.628163 -0.615965
H -6.750166 -1.378946 -0.811281
H -5.518662 2.476004 0.667603
H -7.324628 0.908441 -0.020742


%chk=000267941-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267941

0 1
O -0.068895 -0.725923 -0.001441
O -1.085981 1.447206 0.025334
N -2.309223 -0.584961 0.039154
N 1.223462 -0.022466 0.014415
C 3.582544 -0.246016 -0.010776
C 2.229707 -0.880744 -0.028237
C 4.756465 -1.046504 -0.048158
C 3.723285 1.171930 0.043892
C -3.665635 -0.154119 0.052329
C 6.036517 -0.449427 -0.031530
C 5.000495 1.762585 0.060324
C 2.104184 -2.388660 -0.090500
C -4.667840 -1.161292 0.064751
C -4.039273 1.215684 0.053125
C 6.164966 0.955953 0.022789
C -6.031114 -0.804223 0.077610
C -5.409542 1.554613 0.065801
C -6.412064 0.557992 0.078076
C -1.173362 0.208227 0.023248
H 4.680815 -2.137876 -0.089985
H 2.820139 1.788691 0.072388
H 6.930743 -1.081839 -0.060834
H 5.092100 2.853526 0.102193
H 2.599471 -2.852806 0.781819
H 1.050493 -2.698331 -0.102548
H 2.598520 -2.778708 -0.998783
H -4.379495 -2.220559 0.064272
H -3.267937 1.988424 0.044263
H 7.157860 1.419033 0.035665
H -2.139703 -1.593146 0.039241
H -6.794040 -1.590417 0.087175
H -5.692882 2.613141 0.066227
H -7.471078 0.836213 0.088001


