%chk=000268212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268212

0 1
O -2.785432 -1.642218 1.680126
O -2.885050 0.508450 -2.315381
O -0.617344 0.955479 3.003338
O -0.664064 3.070242 -1.017160
N -2.861202 -0.453008 -0.255872
N -0.769675 2.003083 0.989577
C 0.006780 -0.416153 -0.295079
C -0.740224 -0.496381 1.066668
C -0.787565 0.650325 -1.112153
C -0.010514 -1.774797 -1.034339
C 1.461285 0.022449 -0.132677
C -2.191258 -0.934316 0.905773
C -2.245793 0.260298 -1.323099
C -0.701775 0.839662 1.805620
C -0.731346 2.017387 -0.434037
C 0.695025 -2.899973 -0.263622
C 2.151982 -0.152276 1.074921
C 2.143256 0.569252 -1.232475
C 0.628502 -4.219117 -1.027794
C 3.491613 0.233371 1.187043
C 3.481063 0.953739 -1.118700
C 4.159400 0.789476 0.093130
H -0.239151 -1.263802 1.726598
H -0.326798 0.767429 -2.135505
H 0.479742 -1.653119 -2.023270
H -1.046375 -2.090422 -1.265349
H 0.235082 -3.028655 0.736712
H 1.755421 -2.628201 -0.081942
H -3.856605 -0.708062 -0.368420
H -0.740810 2.918005 1.470429
H 1.661725 -0.590786 1.944826
H 1.634726 0.701640 -2.188189
H -0.405120 -4.548018 -1.188609
H 1.107402 -4.146878 -2.011309
H 1.139332 -5.018813 -0.477081
H 4.013812 0.099167 2.134698
H 3.995842 1.384336 -1.977738
H 5.201611 1.093006 0.182939


%chk=000268212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268212

0 1
O -2.791178 -1.684767 1.754360
O -2.944593 0.526458 -2.311344
O -0.696033 0.978295 3.080319
O -0.728070 3.124459 -1.031090
N -2.862265 -0.445716 -0.206127
N -0.806849 2.004394 1.001450
C 0.006092 -0.406627 -0.273363
C -0.736243 -0.491440 1.098161
C -0.805285 0.657822 -1.092941
C -0.018177 -1.781069 -1.028867
C 1.478076 0.044316 -0.112655
C -2.198261 -0.943799 0.935088
C -2.278619 0.253750 -1.284773
C -0.737079 0.866630 1.832058
C -0.766844 2.037722 -0.409734
C 0.633308 -2.962730 -0.274444
C 2.163877 -0.007665 1.127988
C 2.204802 0.461653 -1.259760
C 0.679913 -4.235439 -1.147782
C 3.527071 0.354651 1.220515
C 3.565033 0.823871 -1.170715
C 4.234956 0.772494 0.073091
H -0.281544 -1.214633 1.790713
H -0.404658 0.804915 -2.107031
H 0.509021 -1.638902 -1.993014
H -1.061024 -2.056136 -1.285343
H 0.065694 -3.183834 0.651020
H 1.659251 -2.687972 0.035718
H -3.848452 -0.714960 -0.315840
H -0.792386 2.915155 1.478138
H 1.653365 -0.327740 2.041760
H 1.716052 0.507638 -2.239961
H -0.335037 -4.543066 -1.462300
H 1.280759 -4.068795 -2.061291
H 1.130979 -5.079569 -0.596249
H 4.031663 0.309473 2.191725
H 4.099545 1.147843 -2.070316
H 5.290638 1.055118 0.145433


