%chk=000269346.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269346

0 1
O 3.296044 -1.893017 -1.420258
O -3.296371 -1.815817 1.520286
N 3.584955 -0.056719 -0.095179
N -3.586307 -0.053873 0.098025
C 5.042811 0.055034 -0.366996
C -5.044238 0.071547 0.363383
C 5.373639 1.433945 -0.984320
C 5.844437 -0.014287 0.953794
C -5.375775 1.481330 0.906083
C -5.845709 -0.068680 -0.951859
C 5.846748 2.339473 0.164875
C 6.131920 1.434541 1.380411
C -5.849154 2.323902 -0.289926
C -6.133958 1.355121 -1.455302
C 2.812789 -1.068026 -0.662188
C -2.813578 -1.032622 0.718841
C 1.357337 -1.040916 -0.286350
C -1.358114 -1.024880 0.342124
C 0.404990 -1.084843 -1.313018
C -0.956350 -1.073357 -0.998364
C 0.955570 -1.016365 1.054786
C -0.405769 -1.011788 1.369638
H 5.332243 -0.778065 -1.059562
H -5.333325 -0.723469 1.099486
H 4.512132 1.865855 -1.519452
H 6.169226 1.316399 -1.741781
H 6.786644 -0.565607 0.783274
H 5.307416 -0.574845 1.736291
H -4.514520 1.941624 1.417434
H -6.171396 1.404075 1.668670
H -6.787629 -0.610623 -0.752177
H -5.308324 -0.669952 -1.703261
H 5.079418 3.092482 0.412107
H 6.747684 2.905062 -0.127107
H 7.175735 1.544265 1.719767
H 5.499717 1.723526 2.237059
H -5.082065 3.062861 -0.577080
H -6.750293 2.903998 -0.028651
H -7.177860 1.446012 -1.799920
H -5.501980 1.598208 -2.326250
H 3.180867 0.648181 0.511914
H -3.182608 0.617399 -0.546300
H 0.731409 -1.143495 -2.353805
H -1.698027 -1.121884 -1.795858
H 1.697261 -1.020579 1.853737
H -0.732146 -1.013731 2.412081


%chk=000269346-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269346

0 1
O 3.084004 -1.318748 -1.703462
O -2.999511 0.289153 2.267772
N 3.693452 0.501060 -0.397516
N -3.788214 -0.192099 0.137558
C 5.114098 0.450992 -0.811147
C -5.212757 -0.118731 0.534651
C 5.828545 1.768516 -0.428427
C 5.910264 -0.612217 -0.005658
C -5.698177 1.347848 0.701101
C -6.109991 -0.643823 -0.611212
C 6.181159 1.616419 1.084846
C 6.217531 0.071515 1.359123
C -5.988213 1.843396 -0.747274
C -6.235700 0.552415 -1.604921
C 2.768160 -0.414571 -0.862525
C -2.766485 0.006697 1.046813
C 1.356343 -0.277504 -0.342990
C -1.356326 -0.119111 0.520172
C 0.325863 -0.905889 -1.085963
C -1.014872 -0.824867 -0.664272
C 1.018599 0.402289 0.857541
C -0.321043 0.475286 1.284278
H 5.137376 0.236780 -1.893958
H -5.322984 -0.686675 1.474609
H 5.223468 2.666959 -0.650205
H 6.754062 1.843382 -1.027640
H 6.846813 -0.834360 -0.552227
H 5.349324 -1.556242 0.088353
H -4.958158 1.960536 1.240620
H -6.625693 1.340156 1.304834
H -7.100427 -0.891263 -0.187801
H -5.715797 -1.564739 -1.079057
H 5.420475 2.106808 1.721350
H 7.144722 2.101586 1.319863
H 7.193379 -0.252100 1.761594
H 5.453602 -0.205487 2.107932
H -5.126590 2.410468 -1.143285
H -6.857471 2.523865 -0.771624
H -7.224142 0.562246 -2.096625
H -5.484241 0.474063 -2.413719
H 3.392707 1.265230 0.208769
H -3.570034 -0.316142 -0.852091
H 0.610653 -1.466154 -1.982305
H -1.782075 -1.350882 -1.245235
H 1.796883 0.846768 1.489873
H -0.597086 0.974569 2.218592


