%chk=000197233.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197233

0 1
O -2.931748 -4.051809 -2.718960
N 4.612281 0.702058 0.777294
N -3.636817 0.112273 0.854177
N 0.679848 -0.190459 -1.086607
N 0.292669 1.507524 0.548217
C -1.509599 -0.020964 -0.030963
C 2.952749 -0.843206 -0.213438
C 3.390580 -0.115991 1.071800
C -2.373017 0.706548 0.856552
C -2.286523 -1.094585 -0.601712
C 2.138625 0.074020 -1.142846
C -0.163665 0.425164 -0.169725
C -3.607165 -0.998831 -0.036891
C -1.911571 1.831744 1.578758
C 5.862670 -0.099247 0.997041
C 4.632251 1.979129 1.565452
C -1.998666 -2.110588 -1.520029
C -4.627051 -1.897537 -0.370439
C -0.571877 2.170541 1.370666
C -3.031970 -2.993960 -1.838585
C -2.799926 2.595879 2.496781
C 7.028858 0.533343 0.234649
C 3.623327 2.966962 0.980112
C -4.333300 -2.904234 -1.278997
C -1.668841 -4.253234 -3.395461
H 2.376860 -1.747003 0.056538
H 3.847422 -1.204161 -0.759829
H 3.548337 -0.851276 1.887641
H 2.561889 0.549633 1.413780
H 2.453278 -0.065565 -2.200614
H 2.338889 1.147566 -0.897590
H -4.436077 0.414476 1.374580
H 0.384547 -1.103086 -1.434358
H 5.692679 -1.127926 0.608653
H 6.122966 -0.206389 2.072250
H 4.429125 1.818936 2.646221
H 5.653404 2.416743 1.495468
H -1.013734 -2.187675 -1.963327
H -5.618789 -1.811095 0.066417
H -0.125361 3.027875 1.891743
H -2.276662 3.436931 2.972466
H -3.660106 3.020848 1.960577
H -3.182295 1.960352 3.307586
H 6.754777 0.715278 -0.813565
H 7.315868 1.502772 0.657845
H 7.908797 -0.116238 0.248748
H 3.833142 3.162182 -0.079034
H 2.593936 2.576742 1.023209
H 3.645118 3.920130 1.514157
H -5.082544 -3.633561 -1.579780
H -1.888227 -5.126785 -4.023575
H -0.881975 -4.480313 -2.671039
H -1.422582 -3.382432 -4.009917


%chk=000197233-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197233

0 1
O -3.156716 -4.067095 -2.830420
N 4.616640 0.761658 0.871868
N -3.624513 0.224035 0.731527
N 0.790023 -0.519049 -0.862699
N 0.413053 1.288072 0.611859
C -1.483886 -0.100676 -0.032790
C 3.145826 -1.055187 -0.064419
C 3.559215 -0.240634 1.184996
C -2.316869 0.711659 0.802450
C -2.338973 -1.114232 -0.639931
C 2.230477 -0.251690 -1.033255
C -0.086309 0.227155 -0.090486
C -3.666579 -0.883580 -0.136330
C -1.820005 1.821527 1.536716
C 5.973316 0.153547 0.825357
C 4.548689 1.963373 1.751205
C -2.127201 -2.181343 -1.556064
C -4.762410 -1.686814 -0.511764
C -0.438042 2.043594 1.375859
C -3.229374 -2.983008 -1.931252
C -2.699688 2.689016 2.411147
C 6.962682 0.953176 -0.044465
C 3.502650 2.986080 1.267615
C -4.533899 -2.741632 -1.413053
C -1.852312 -4.374109 -3.412727
H 2.617700 -1.978124 0.249621
H 4.057524 -1.379330 -0.603699
H 3.891516 -0.934958 1.998032
H 2.668212 0.296034 1.555140
H 2.485337 -0.492636 -2.083239
H 2.406200 0.826228 -0.884564
H -4.422848 0.615930 1.224752
H 0.419502 -1.363316 -1.293506
H 5.875184 -0.862727 0.398811
H 6.396354 0.018598 1.854485
H 4.336014 1.671588 2.810408
H 5.545473 2.442216 1.756548
H -1.139806 -2.381292 -1.981344
H -5.768754 -1.503209 -0.120634
H 0.034921 2.883931 1.901406
H -2.108592 3.496437 2.876727
H -3.514150 3.170057 1.833113
H -3.170291 2.111103 3.231835
H 6.576483 1.037830 -1.075376
H 7.116977 1.976565 0.343228
H 7.949173 0.452625 -0.072318
H 3.796256 3.387031 0.280789
H 2.508002 2.519073 1.154070
H 3.423029 3.829307 1.981309
H -5.346814 -3.396359 -1.740054
H -2.026190 -5.236760 -4.072822
H -1.113710 -4.647963 -2.632674
H -1.463692 -3.524226 -4.008890


