%chk=000203482.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203482

0 1
O 4.277284 -1.828633 -1.158097
O 5.305492 0.941925 -1.101874
N 0.050541 -0.351877 0.448117
N -2.705691 -0.890270 1.040953
N -5.319061 0.021954 1.691516
N -4.957955 1.520713 -1.684498
C -0.343179 -1.780923 0.602848
C -0.656385 0.571900 1.389756
C -1.864633 -1.950416 0.399058
C -1.909634 -0.079467 2.009428
C 1.406464 -0.056689 0.151849
C -3.414503 -0.038289 0.095120
C 2.278023 -1.060632 -0.313593
C 1.867214 1.285205 0.214034
C -4.751594 0.320436 0.427825
C -2.878795 0.415352 -1.115250
C 3.583643 -0.733895 -0.712841
C 3.161829 1.598313 -0.181908
C 4.035812 0.602251 -0.634824
C -5.478457 1.099360 -0.510332
C -3.676570 1.184156 -1.976685
C 5.615175 -1.630016 -1.685356
C 6.212717 1.378904 -0.055707
H -0.040632 -2.179720 1.596601
H 0.191930 -2.392338 -0.162696
H -0.957400 1.465823 0.792121
H 0.014410 0.927084 2.202846
H -2.094184 -2.041022 -0.684483
H -2.184265 -2.910203 0.868638
H -1.629961 -0.753528 2.849149
H -2.564955 0.710438 2.442410
H 1.966020 -2.100176 -0.394870
H 1.210366 2.085096 0.539739
H -1.846145 0.180756 -1.384259
H 3.511757 2.630809 -0.149796
H -6.511439 1.400026 -0.305793
H -3.287086 1.549701 -2.932382
H -6.327019 -0.071555 1.690154
H -4.881810 -0.761341 2.171119
H 6.294507 -1.370472 -0.869683
H 5.613084 -0.846579 -2.452883
H 5.838451 -2.615813 -2.107626
H 7.143967 1.540846 -0.609178
H 6.325705 0.599645 0.701722
H 5.854763 2.310860 0.388808


%chk=000203482-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203482

0 1
O 4.679102 -1.551370 -0.727210
O 5.407197 1.288717 -0.797159
N 0.171211 -0.355986 0.760117
N -2.636381 -0.862802 0.864741
N -5.161940 0.021436 1.631218
N -5.092740 1.432436 -1.821651
C -0.263570 -1.758571 0.833322
C -0.714416 0.642607 1.403332
C -1.731406 -1.932021 0.353011
C -1.994871 -0.041647 1.931285
C 1.472878 0.021346 0.378567
C -3.418408 -0.106773 -0.078937
C 2.464690 -0.933494 -0.001242
C 1.841056 1.404197 0.341270
C -4.712727 0.343487 0.351086
C -3.012455 0.225538 -1.393012
C 3.752375 -0.528976 -0.401796
C 3.138868 1.795168 -0.041795
C 4.114333 0.846762 -0.407278
C -5.490650 1.112453 -0.559912
C -3.868857 0.980810 -2.226775
C 5.196573 -1.495188 -2.113833
C 6.475414 0.925311 0.160994
H -0.150179 -2.165676 1.862699
H 0.368975 -2.378313 0.178895
H -1.003953 1.424716 0.671586
H -0.189201 1.151076 2.242079
H -1.758959 -1.939696 -0.749776
H -2.091399 -2.924051 0.695269
H -1.760470 -0.689257 2.797040
H -2.706094 0.727543 2.276269
H 2.280411 -2.010688 0.011641
H 1.117132 2.179275 0.604014
H -2.028119 -0.076310 -1.766789
H 3.415621 2.854654 -0.061524
H -6.485775 1.468865 -0.261109
H -3.567620 1.247447 -3.245368
H -6.116280 0.243152 1.903971
H -4.674728 -0.735076 2.113080
H 5.671633 -0.519416 -2.318764
H 4.372943 -1.669355 -2.832804
H 5.933728 -2.309867 -2.184693
H 7.410460 1.308790 -0.276536
H 6.531756 -0.171405 0.291010
H 6.292646 1.407849 1.140665


