%chk=000278997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278997

0 1
O 0.911866 1.024485 3.073045
O -5.547074 0.713093 -2.297586
O 5.650612 1.473740 -0.848641
N -1.510286 -1.073083 1.152998
N 0.660785 -0.793134 0.238888
C -0.302284 -0.176882 1.205647
C 0.093791 -0.125134 2.688550
C 1.485698 -0.316739 3.212483
C -0.992036 -2.445872 0.814526
C 0.428882 -2.272447 0.230313
C -2.539643 -0.608238 0.230576
C 1.978543 -0.289523 0.045159
C -3.826013 -0.468236 0.768491
C 2.947248 -1.069349 -0.611108
C -2.293942 -0.303268 -1.125029
C 2.286241 1.052976 0.392263
C -4.881084 -0.026444 -0.036828
C 4.197975 -0.528984 -0.937164
C -3.329011 0.137869 -1.935943
C 3.518162 1.595485 0.071257
C -4.620518 0.271577 -1.378868
C 4.470735 0.795734 -0.599018
C -6.907706 0.912127 -1.844821
C 6.694111 0.761318 -1.551276
H -0.531690 0.869943 0.864204
H -0.754404 -0.294208 3.369403
H 1.644665 -0.626300 4.243256
H 2.326946 -0.516581 2.551820
H -1.665071 -2.979866 0.117516
H -0.972292 -3.022962 1.762719
H 1.182134 -2.830101 0.821309
H 0.486495 -2.626711 -0.820056
H -4.003742 -0.703462 1.819153
H 2.742202 -2.099011 -0.891634
H -1.284099 -0.410351 -1.530517
H 1.559114 1.661906 0.937266
H -5.873457 0.079901 0.387453
H 4.928175 -1.147971 -1.448032
H -3.170413 0.384602 -2.983673
H 3.770416 2.623598 0.327564
H -6.941094 1.678657 -1.065339
H -7.338443 -0.034549 -1.507001
H -7.399273 1.262966 -2.761866
H 7.481373 1.523622 -1.616819
H 6.351465 0.467308 -2.547372
H 7.030442 -0.098198 -0.964968


%chk=000278997-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278997

0 1
O 1.289720 0.562574 3.803103
O -4.904332 1.106720 -2.561100
O 5.215953 1.536699 -1.622474
N -1.429059 -0.864909 1.501308
N 0.891802 -0.968415 1.078411
C -0.151836 -0.171540 1.789680
C 0.027804 -0.107107 3.313955
C 1.050260 -0.910519 4.051118
C -1.036691 -2.306503 1.409387
C 0.316612 -2.263066 0.645567
C -2.285052 -0.361380 0.454728
C 1.974706 -0.373946 0.389575
C -3.610690 -0.857889 0.380486
C 2.630123 -1.048293 -0.677556
C -1.879495 0.616407 -0.497791
C 2.462730 0.915541 0.766966
C -4.511142 -0.412736 -0.611242
C 3.710308 -0.450965 -1.368147
C -2.777828 1.085005 -1.473765
C 3.526047 1.512988 0.072616
C -4.095839 0.572331 -1.541292
C 4.155104 0.840455 -1.004368
C -6.277100 0.609989 -2.657048
C 5.894274 0.863098 -2.727020
H -0.170051 0.870134 1.421266
H -0.877029 0.225038 3.840896
H 0.876943 -1.174831 5.101489
H 1.708797 -1.568683 3.472474
H -1.804147 -2.888550 0.878971
H -0.903797 -2.723534 2.423474
H 0.977423 -3.112564 0.903342
H 0.140125 -2.277561 -0.452047
H -3.946972 -1.585150 1.128241
H 2.309617 -2.050022 -0.979753
H -0.855813 1.005498 -0.502613
H 2.047670 1.416757 1.646204
H -5.526377 -0.820367 -0.631297
H 4.185982 -1.006087 -2.182822
H -2.469650 1.837168 -2.206439
H 3.901454 2.498096 0.366835
H -6.851672 0.828668 -1.735299
H -6.300300 -0.479704 -2.856733
H -6.720892 1.150547 -3.506069
H 6.672910 1.564887 -3.061627
H 5.198280 0.653616 -3.564149
H 6.365621 -0.084590 -2.397143


