%chk=000223573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223573

0 1
O -0.002140 -1.197274 0.008188
O -5.384465 -2.079775 0.016342
O -6.012889 2.497207 -0.017525
N -2.336602 -1.498278 0.010842
N -3.830440 1.769403 -0.012819
N -5.700247 0.201504 -0.000625
N -1.570335 0.690528 -0.005450
C -3.469212 -0.646315 0.004915
C -2.963208 0.683308 -0.005032
C 2.333545 -1.127786 0.003511
C 3.623199 -0.300321 0.000882
C -1.235892 -0.653729 0.004384
C 1.114749 -0.215406 -0.000262
C 4.864354 -1.206037 0.003609
C -4.868220 -0.979813 0.007880
C -5.247989 1.551245 -0.010755
C -2.375469 -2.961135 0.021685
C 6.121880 -0.378435 0.001560
C -3.298750 3.153619 -0.023115
C -7.178946 0.023230 0.001104
C 6.710088 0.009454 -1.212023
C 6.708935 0.017177 1.213213
C 7.874906 0.781382 -1.211012
C 7.873751 0.789086 1.208398
C 8.459469 1.172522 -0.002263
H 2.300816 -1.803933 -0.875610
H 2.300162 -1.797273 0.887737
H 3.651926 0.370638 0.883044
H 3.651844 0.365163 -0.885417
H 1.018782 0.412111 0.901828
H 1.015815 0.400581 -0.909935
H 4.844761 -1.877635 0.886151
H 4.845050 -1.882499 -0.875215
H -1.352831 -3.377626 0.026040
H -2.920966 -3.326645 0.914992
H -2.918741 -3.339919 -0.867423
H -4.133407 3.881201 -0.028680
H -2.675298 3.316526 -0.920132
H -2.675550 3.329961 0.871534
H -7.427181 -1.055197 0.010322
H -7.623307 0.484898 -0.897394
H -7.623065 0.500166 0.891719
H 6.260182 -0.290181 -2.156101
H 6.258124 -0.276451 2.158746
H 8.328496 1.078751 -2.155215
H 8.326444 1.092463 2.151118
H 9.366669 1.772643 -0.003740


%chk=000223573-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000223573

0 1
O -0.086221 -1.366718 0.008504
O -5.548298 -2.071904 0.014116
O -5.928810 2.634659 -0.017294
N -2.450524 -1.589066 0.010228
N -3.761433 1.731602 -0.011822
N -5.706180 0.300762 -0.001758
N -1.593785 0.544423 -0.004194
C -3.549489 -0.697093 0.004356
C -2.982469 0.586806 -0.004348
C 2.340279 -1.256678 0.005929
C 3.606172 -0.368329 0.002395
C -1.322906 -0.789665 0.004731
C 1.069085 -0.411533 0.002244
C 4.912637 -1.209638 0.005123
C -4.962325 -0.943611 0.006442
C -5.175619 1.618282 -0.010715
C -2.497117 -3.057986 0.020353
C 6.161962 -0.340180 0.001608
C -3.137749 3.067548 -0.020725
C -7.184271 0.213267 -0.000875
C 6.745309 0.088793 -1.218769
C 6.744703 0.099554 1.218447
C 7.876740 0.935552 -1.225455
C 7.876118 0.946353 1.218219
C 8.445719 1.369107 -0.005368
H 2.341545 -1.918546 -0.881590
H 2.341267 -1.911015 0.899026
H 3.604942 0.298956 0.887493
H 3.604570 0.292603 -0.887465
H 0.986263 0.234142 0.895591
H 0.984750 0.224300 -0.897971
H 4.907677 -1.865938 0.897574
H 4.907262 -1.872408 -0.882521
H -1.463321 -3.435248 0.024328
H -3.031478 -3.416301 0.914861
H -3.029130 -3.428851 -0.870443
H -3.948743 3.810268 -0.025386
H -2.506845 3.186628 -0.917611
H -2.506430 3.198357 0.874238
H -7.447971 -0.854522 0.007116
H -7.594379 0.706435 -0.897452
H -7.594053 0.719848 0.888324
H 6.313107 -0.248787 -2.169711
H 6.312039 -0.229623 2.172120
H 8.316190 1.253013 -2.178097
H 8.315082 1.272237 2.168239
H 9.324925 2.023248 -0.008037


