%chk=000268372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268372

0 1
O 7.505740 -1.828032 -0.306146
O -7.521700 1.768818 0.545494
O 9.186229 0.523081 0.186906
O -9.177649 -0.490826 -0.317559
N 1.428427 0.027043 -0.159310
N -1.427099 -0.019092 0.113768
N 2.770013 -0.019955 0.049311
N -2.768771 0.027382 -0.096133
C 0.747118 -1.121150 0.536385
C 0.659906 1.307630 0.017371
C -0.658569 -1.299805 -0.061956
C -0.745521 1.129000 -0.581696
C 3.546924 1.026135 -0.052655
C -3.545039 -1.018858 0.006700
C 5.009238 0.836556 0.013459
C -5.007570 -0.828755 -0.058613
C 5.600984 -0.415929 -0.215761
C -5.601943 0.409271 0.232688
C 5.819851 1.952759 0.296519
C -5.812867 -1.924474 -0.424114
C 6.991230 -0.546495 -0.146363
C -6.992525 0.539838 0.168192
C 7.205771 1.821247 0.381222
C -7.200943 -1.799363 -0.476661
C 7.797473 0.569960 0.167397
C -7.797815 -0.569307 -0.172467
C 8.405344 -1.964263 -1.441209
C -8.263732 2.439273 -0.510980
C 9.731288 -0.350233 1.215104
C -9.881657 -0.164068 0.913058
H 0.682668 -0.956038 1.635089
H 1.347520 -2.046233 0.375367
H 1.181075 2.129082 -0.520718
H 0.589360 1.602020 1.088291
H -0.588655 -1.595457 -1.132506
H -1.179610 -2.120543 0.477510
H -1.345864 2.054029 -0.420497
H -0.680482 0.964000 -1.680320
H 3.218533 2.065068 -0.186409
H -3.217792 -2.057922 0.141659
H 4.989104 -1.291609 -0.444153
H -4.992305 1.273311 0.506325
H 5.366494 2.928451 0.462867
H -5.354395 -2.881538 -0.667046
H 7.840889 2.676181 0.610052
H -7.833657 -2.642222 -0.752172
H 9.212711 -1.224877 -1.388457
H 7.832046 -1.860624 -2.366502
H 8.781228 -2.985096 -1.317389
H -7.568033 2.749553 -1.295406
H -8.684075 3.303279 0.013900
H -9.047656 1.785559 -0.910300
H 10.801424 -0.339961 0.984380
H 9.530887 0.084793 2.197814
H 9.307860 -1.357974 1.133000
H -10.910714 -0.032595 0.563316
H -9.800479 -1.005289 1.606487
H -9.482820 0.755862 1.356068


%chk=000268372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268372

0 1
O 7.633901 -1.847040 -0.251064
O -7.639454 1.839930 0.270914
O 9.300931 0.526225 0.141515
O -9.300341 -0.537505 -0.107346
N 1.421839 0.038891 -0.083982
N -1.422037 -0.032305 0.087919
N 2.798733 -0.074703 -0.019364
N -2.798691 0.081017 0.019794
C 0.736949 -1.219250 0.272102
C 0.691358 1.267928 0.305517
C -0.690792 -1.261475 -0.299232
C -0.737031 1.226844 -0.264319
C 3.583459 0.980058 0.121944
C -3.581688 -0.973476 -0.133450
C 5.045222 0.825827 0.110356
C -5.043670 -0.821866 -0.122935
C 5.669607 -0.440052 -0.074245
C -5.670631 0.442113 0.066299
C 5.870591 1.973222 0.276490
C -5.866066 -1.965471 -0.325874
C 7.068677 -0.558474 -0.076898
C -7.069873 0.558241 0.063012
C 7.275205 1.854045 0.293864
C -7.271387 -1.854604 -0.309165
C 7.888131 0.593097 0.137008
C -7.887479 -0.603190 -0.098257
C 8.425877 -2.001912 -1.492792
C -8.403934 2.360829 -0.885509
C 9.880675 -0.304927 1.223350
C -9.908326 -0.074184 1.162671
H 0.687227 -1.332575 1.378337
H 1.339870 -2.048318 -0.131657
H 1.201576 2.150518 -0.118256
H 0.669138 1.375122 1.413950
H -0.667385 -1.370761 -1.407503
H -1.201599 -2.143267 0.125675
H -1.339708 2.054512 0.142789
H -0.688242 1.343746 -1.370300
H 3.208294 2.011205 0.246890
H -3.204510 -2.002311 -0.270649
H 5.055375 -1.331846 -0.227840
H -5.057935 1.337051 0.207199
H 5.409158 2.959991 0.405017
H -5.401915 -2.946341 -0.486001
H 7.919971 2.726800 0.438825
H -7.914299 -2.729915 -0.446782
H 9.255929 -1.272874 -1.528069
H 7.774437 -1.870078 -2.377696
H 8.816408 -3.030783 -1.465395
H -7.730532 2.504988 -1.751901
H -8.805953 3.331948 -0.558182
H -9.225033 1.673815 -1.160317
H 10.968006 -0.289769 1.052515
H 9.647621 0.141335 2.208847
H 9.492946 -1.338335 1.179322
H -10.991176 -0.030579 0.969689
H -9.698112 -0.801706 1.969636
H -9.521912 0.921190 1.445733


