%chk=000217066.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217066

0 1
O -0.608904 -0.839413 0.045556
N -0.731455 0.703886 1.711521
N 0.653006 0.736384 2.007023
C -2.841106 -0.054587 0.666358
C -3.266291 0.079961 -0.806362
C -3.439685 -1.299882 1.350335
C -2.990333 1.485053 -1.358662
C -3.097361 -2.622246 0.650813
C -1.315136 -0.126761 0.741196
C -3.421661 1.604533 -2.818219
C -3.559651 -3.824603 1.469120
C 1.399127 1.704262 1.122283
C 2.540788 1.064314 0.373529
C 3.856013 1.491819 0.606422
C 2.294608 0.052567 -0.566037
C 4.914794 0.915275 -0.101447
C 3.356037 -0.522148 -1.268367
C 4.667352 -0.091329 -1.039669
H -3.216250 0.843146 1.220445
H -4.342210 -0.160784 -0.903599
H -2.729726 -0.676314 -1.418755
H -3.093255 -1.337605 2.402805
H -4.540476 -1.183876 1.402083
H -3.517812 2.245414 -0.750786
H -1.909758 1.717276 -1.271587
H -2.001651 -2.683510 0.470554
H -3.560732 -2.651214 -0.354303
H -2.884992 0.891589 -3.456099
H -3.219531 2.607858 -3.210137
H -4.493340 1.412845 -2.942702
H -4.640829 -3.807865 1.644257
H -3.066493 -3.863249 2.447198
H -3.325998 -4.762948 0.952107
H -1.273047 1.282306 2.353437
H 1.050318 -0.218150 1.875992
H 0.729186 2.223026 0.399793
H 1.769267 2.496757 1.815842
H 4.057539 2.270443 1.339321
H 1.269305 -0.295214 -0.743440
H 5.934074 1.250435 0.081012
H 3.159263 -1.308716 -1.995438
H 5.492207 -0.539735 -1.589091


%chk=000217066-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217066

0 1
O -0.748910 -0.692189 -0.386621
N -0.663347 0.628749 1.515275
N 0.759489 0.610625 1.594266
C -2.894504 -0.009457 0.662691
C -3.561995 0.182888 -0.721667
C -3.401385 -1.288264 1.407867
C -3.328741 1.584584 -1.329836
C -3.209579 -2.622153 0.649356
C -1.365110 -0.050025 0.523740
C -4.021039 1.755285 -2.699072
C -3.644948 -3.833293 1.502273
C 1.411196 1.537524 0.590782
C 2.773929 0.992491 0.200906
C 3.969547 1.533728 0.733497
C 2.851890 -0.103507 -0.700023
C 5.226176 0.998506 0.367102
C 4.106145 -0.640397 -1.064660
C 5.296850 -0.089408 -0.533339
H -3.159037 0.862546 1.301002
H -4.651692 0.002832 -0.617244
H -3.168199 -0.582460 -1.416419
H -2.892628 -1.359050 2.392028
H -4.480816 -1.146231 1.622986
H -3.699616 2.359775 -0.627304
H -2.239813 1.756113 -1.446071
H -2.150669 -2.729257 0.349595
H -3.796720 -2.603917 -0.288926
H -3.640761 1.014218 -3.426738
H -3.845505 2.762636 -3.119090
H -5.114660 1.610222 -2.612210
H -4.707469 -3.752298 1.802312
H -3.040682 -3.906416 2.426578
H -3.523415 -4.780392 0.945454
H -1.147403 1.113533 2.272601
H 1.075593 -0.357781 1.416476
H 0.770115 1.620632 -0.310462
H 1.501900 2.538556 1.049081
H 3.914956 2.373613 1.436743
H 1.923735 -0.523856 -1.108344
H 6.145289 1.427095 0.782556
H 4.156693 -1.482859 -1.763732
H 6.270339 -0.503939 -0.819109


