%chk=000212576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212576

2 1
O 5.495562 0.105679 1.753461
O -5.461566 0.053508 -1.743910
O 9.830987 -1.715659 -1.878078
O -10.049030 -1.743465 1.683285
N 7.330245 0.281852 -0.263497
N -7.316045 0.228576 0.248656
C 0.748004 0.313181 0.100951
C -0.724897 0.302946 -0.072309
C 3.537827 0.344318 0.421157
C -3.514294 0.301121 -0.399147
C 5.920468 0.664595 -0.520714
C -5.906827 0.596350 0.529838
C 1.564157 0.940391 -0.857873
C -1.297170 -0.300549 -1.201326
C 1.331021 -0.296991 1.220803
C -1.551825 0.904701 0.893656
C 4.991158 0.338253 0.681922
C -4.965761 0.283899 -0.667677
C 2.948617 0.957966 -0.698117
C -2.683020 -0.299126 -1.365046
C 2.717235 -0.279191 1.381233
C -2.935993 0.905938 0.730643
C 7.967879 -0.536867 -1.160744
C -7.978104 -0.592745 1.140673
C 7.973584 0.735774 0.850996
C -7.934542 0.688398 -0.868625
C 9.309765 -0.913607 -0.931250
C -9.311439 -0.955032 0.886217
C 9.314829 0.368695 1.100186
C -9.280739 0.332298 -1.144775
C 9.995839 -0.452107 0.218839
C -9.979386 -0.481792 -0.283395
H 5.858608 1.764573 -0.733105
H 5.534867 0.158252 -1.440959
H -5.839963 1.691888 0.762167
H -5.534470 0.071235 1.443964
H 1.109712 1.424545 -1.726031
H -0.662230 -0.774534 -1.954310
H 0.704507 -0.789612 1.968648
H -1.105736 1.382740 1.769456
H 3.557066 1.465331 -1.447379
H -3.131793 -0.762363 -2.253033
H 3.174455 -0.748352 2.261628
H -3.553011 1.394320 1.485314
H 7.447762 -0.905838 -2.059601
H -7.451565 -0.950178 2.033459
H 7.422943 1.366918 1.574714
H -7.372438 1.320476 -1.583910
H 9.803711 0.748602 2.011153
H -9.746899 0.721263 -2.064114
H 11.037491 -0.740548 0.405988
H -11.023910 -0.781329 -0.461303
H 10.789893 -1.976094 -1.698439
H -9.566438 -2.072104 2.502459


%chk=000212576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212576

2 1
O 5.661071 0.460291 1.549611
O -5.604216 -0.940078 -1.136029
O 9.955326 -2.204892 -0.794830
O -10.070636 -2.049232 -0.351736
N 7.382939 0.333595 -0.559580
N -7.385444 0.337512 0.514644
C 0.750173 0.136601 0.149898
C -0.733351 0.038028 0.075795
C 3.601893 0.310259 0.289938
C -3.584913 -0.157231 -0.063230
C 5.934189 0.446933 -0.876291
C -5.956290 0.320956 0.925218
C 1.537044 0.220500 -1.035106
C -1.370328 -0.616611 -1.019434
C 1.422220 0.145140 1.407556
C -1.555721 0.591412 1.099498
C 5.076535 0.400933 0.434103
C -5.054846 -0.307471 -0.192097
C 2.938507 0.305209 -0.969870
C -2.767246 -0.716414 -1.088029
C 2.820235 0.231327 1.478541
C -2.956637 0.500538 1.032518
C 8.042562 -0.837893 -0.827381
C -8.024155 -0.866641 0.325460
C 8.002289 1.375867 0.091463
C -8.010480 1.533150 0.246908
C 9.398456 -0.992690 -0.465169
C -9.359054 -0.894733 -0.136844
C 9.350759 1.259627 0.463460
C -9.339908 1.541053 -0.205732
C 10.065618 0.077551 0.190714
C -10.028029 0.330226 -0.400496
H 5.754656 1.402088 -1.402382
H 5.654835 -0.372781 -1.557038
H -5.646787 1.353600 1.149006
H -5.850991 -0.272775 1.852069
H 1.046748 0.251920 -2.013191
H -0.765557 -1.080525 -1.805088
H 0.848524 0.049175 2.334853
H -1.097206 1.125785 1.937391
H 3.497507 0.381019 -1.909256
H -3.252252 -1.230689 -1.923705
H 3.334351 0.229046 2.444881
H -3.543233 0.948222 1.842449
H 7.504009 -1.642494 -1.330246
H -7.453792 -1.771597 0.541339
H 7.405640 2.265475 0.291932
H -7.434829 2.445437 0.408863
H 9.832878 2.097710 0.971090
H -9.826197 2.498451 -0.404117
H 11.117500 -0.010514 0.483484
H -11.062795 0.303666 -0.752398
H 10.905442 -2.303309 -0.532373
H -9.567911 -2.889235 -0.198234


