%chk=000231375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231375

0 1
O -4.045431 1.433778 -0.909624
O -5.607220 -0.328313 0.010563
O 4.230195 -1.224878 1.531380
O 2.584345 1.511746 -0.998043
N 0.770087 -0.307831 -0.059844
N 2.121707 -0.517239 0.027130
C -3.393486 0.362439 -0.355179
C -4.280842 -0.639699 0.167936
C -1.499508 -0.980949 0.337060
C -2.021221 0.187365 -0.268241
C -3.759443 -1.782916 0.760164
C -2.364733 -1.950870 0.843479
C -3.215755 2.507019 -1.469488
C -6.589656 -1.292712 0.511206
C -0.042844 -1.196705 0.446396
C 4.445655 0.181833 -0.364559
C -4.246474 3.494544 -1.980194
C -7.911252 -0.631693 0.170605
C 5.058190 -0.619227 0.613835
C 2.985497 0.495028 -0.475150
C 5.285576 0.800482 -1.311239
C 6.448460 -0.812959 0.667228
C 6.666754 0.612371 -1.282774
C 7.246390 -0.191400 -0.292402
H -1.324540 0.932102 -0.657956
H -4.407337 -2.554987 1.162840
H -1.976255 -2.853018 1.310425
H -2.586162 2.920055 -0.662786
H -2.590028 2.082968 -2.273484
H -6.441535 -2.250561 -0.015521
H -6.439383 -1.415290 1.597134
H 0.255127 -2.121171 0.962467
H -3.769402 4.369739 -2.434125
H -4.902094 3.030577 -2.730458
H -4.900418 3.840495 -1.167336
H -7.998398 -0.456387 -0.911402
H -7.994860 0.354674 0.649346
H -8.761185 -1.243068 0.490248
H 4.828769 1.445169 -2.072584
H 6.893503 -1.432816 1.439327
H 2.509070 -1.335761 0.522056
H 7.295914 1.096706 -2.027906
H 8.328569 -0.331650 -0.269756
H 4.732354 -1.722490 2.224729


%chk=000231375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231375

0 1
O -4.129299 1.475195 -1.039178
O -5.696498 -0.334241 0.091762
O 4.119789 -1.843053 0.949784
O 2.713410 1.580823 -1.210993
N 0.767395 -0.105559 -0.121367
N 2.125472 -0.337712 0.008769
C -3.471212 0.424419 -0.396742
C -4.324736 -0.558098 0.218009
C -1.494196 -0.831091 0.359068
C -2.076691 0.279387 -0.321317
C -3.744172 -1.656555 0.891016
C -2.340177 -1.792303 0.961799
C -3.286835 2.504366 -1.687427
C -6.609868 -1.323156 0.699734
C -0.041200 -0.986106 0.438565
C 4.504520 0.190580 -0.353877
C -4.240149 3.518731 -2.311979
C -8.028677 -0.842340 0.409172
C 5.026124 -0.928866 0.354266
C 3.045195 0.547960 -0.561632
C 5.443376 1.082473 -0.937155
C 6.418113 -1.143414 0.472969
C 6.832512 0.882449 -0.828574
C 7.323306 -0.238141 -0.118372
H -1.396364 1.003757 -0.776843
H -4.379533 -2.411477 1.362694
H -1.905193 -2.650867 1.487366
H -2.632023 2.976020 -0.926727
H -2.644778 2.024313 -2.453679
H -6.420915 -2.321481 0.253321
H -6.417107 -1.380678 1.791111
H 0.333367 -1.874078 0.988700
H -3.664415 4.317794 -2.813506
H -4.891348 3.032353 -3.058042
H -4.880597 3.977893 -1.539729
H -8.200427 -0.776220 -0.678460
H -8.197086 0.156175 0.846769
H -8.764075 -1.545702 0.840799
H 5.026305 1.938478 -1.478229
H 6.793527 -2.015356 1.025218
H 2.497067 -1.157251 0.522700
H 7.527314 1.590401 -1.290891
H 8.400792 -0.409681 -0.023406
H 4.596689 -2.575639 1.410034


