%chk=000216651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216651

0 1
O 0.096006 0.481557 0.613014
N -7.495741 -1.288342 0.034051
C 4.937385 0.080268 0.415182
C 3.625695 -0.349614 -0.255791
C 6.154884 -0.517189 -0.302416
C 2.413829 0.250018 0.464504
C 7.467703 -0.087996 0.367966
C 1.110599 -0.179969 -0.205754
C 8.683566 -0.679332 -0.341743
C -1.225864 0.305963 0.274623
C -3.973662 0.139008 -0.165044
C -5.454610 0.043272 -0.397866
C -2.105812 1.000263 1.132466
C -1.698437 -0.466610 -0.792279
C -3.472631 0.908596 0.903201
C -3.080226 -0.541630 -1.000441
C -6.046951 -1.154374 0.368131
H 4.936536 -0.230655 1.478053
H 5.010939 1.185208 0.425388
H 3.554170 -1.454921 -0.263771
H 3.628918 -0.036808 -1.318376
H 6.158561 -0.206495 -1.364917
H 6.084078 -1.621859 -0.312971
H 2.473742 1.357494 0.481000
H 2.399472 -0.053874 1.531137
H 7.541860 1.017183 0.377617
H 7.467375 -0.399945 1.430827
H 0.943872 -1.268898 -0.160657
H 1.020181 0.185763 -1.241991
H 8.661626 -1.775027 -0.336023
H 9.615358 -0.367874 0.143660
H 8.736321 -0.358411 -1.388313
H -5.961137 0.981764 -0.097805
H -5.679386 -0.067044 -1.480776
H -1.699265 1.590317 1.949969
H -1.025324 -1.000649 -1.452778
H -4.163933 1.439269 1.557320
H -3.460858 -1.141195 -1.827754
H -5.851227 -1.040270 1.456024
H -5.535887 -2.090722 0.048416
H -7.900298 -2.076351 0.530486
H -8.009731 -0.461391 0.321331


%chk=000216651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216651

0 1
O 0.069808 0.584966 0.801589
N -7.587535 -1.342674 -0.038368
C 5.024540 0.096856 0.424204
C 3.651707 -0.324940 -0.146550
C 6.216144 -0.555203 -0.312160
C 2.465908 0.320084 0.606858
C 7.591035 -0.113147 0.239137
C 1.117654 -0.066815 -0.004358
C 8.775931 -0.772261 -0.499442
C -1.267757 0.391723 0.414382
C -4.045465 0.142707 -0.199466
C -5.525792 -0.029334 -0.499043
C -2.236753 1.040673 1.219748
C -1.681045 -0.382045 -0.698449
C -3.603872 0.912616 0.911393
C -3.060253 -0.495956 -0.990035
C -6.163611 -1.186190 0.316356
H 5.070455 -0.165371 1.501772
H 5.119042 1.201467 0.368843
H 3.562952 -1.430851 -0.104217
H 3.605745 -0.048884 -1.221122
H 6.160540 -0.308038 -1.393268
H 6.132634 -1.660187 -0.241776
H 2.561919 1.422820 0.591131
H 2.479161 0.011798 1.669945
H 7.674825 0.990459 0.164681
H 7.645394 -0.356253 1.320042
H 0.972423 -1.167966 0.016375
H 1.047896 0.278377 -1.057851
H 8.734360 -1.874476 -0.411122
H 9.746633 -0.437002 -0.090007
H 8.759066 -0.522293 -1.577253
H -6.073857 0.906985 -0.267559
H -5.694422 -0.244970 -1.569879
H -1.895152 1.637663 2.071192
H -0.952164 -0.887736 -1.338515
H -4.343479 1.426515 1.538266
H -3.373137 -1.092384 -1.856291
H -5.978472 -0.996161 1.401830
H -5.639166 -2.127524 0.065734
H -8.019765 -2.208181 0.297797
H -8.162377 -0.520369 0.172356


