%chk=000291431.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291431

0 1
O 0.472808 -2.208928 -1.329744
O 1.756707 -3.940867 -1.251848
O 7.028659 -1.897795 1.185775
O 6.209955 -3.762887 0.454192
N 1.173267 1.450630 -0.210162
N 1.269068 0.097225 -0.481628
N 1.544579 -2.759545 -1.055829
N 6.133650 -2.569858 0.698914
C -4.226106 -0.365893 0.325954
C -5.483028 -0.967933 -0.316689
C -3.322987 0.293175 -0.725454
C -6.389180 -1.624210 0.733780
C -2.067545 0.894239 -0.080696
C -7.646134 -2.225987 0.091487
C -1.180058 1.581473 -1.130358
C -8.554036 -2.882999 1.140811
C 0.083662 2.108070 -0.500392
C -9.806550 -3.483999 0.506886
C 0.099165 3.555405 -0.145969
C 0.114595 4.517283 -1.167149
C 0.082293 3.947956 1.199489
C 2.456148 -0.544378 -0.198796
C 0.104478 5.874247 -0.835461
C 0.068303 5.308613 1.520955
C 0.078241 6.270725 0.506413
C 2.598367 -1.947635 -0.471674
C 3.574423 0.153050 0.372435
C 3.815761 -2.599248 -0.169630
C 4.870632 -1.891317 0.384792
C 4.744947 -0.495548 0.656688
H -3.665821 -1.156070 0.863178
H -4.516081 0.375724 1.095156
H -6.044070 -0.182522 -0.858786
H -5.194141 -1.714883 -1.081749
H -3.035439 -0.454002 -1.491729
H -3.887103 1.078512 -1.265090
H -5.829589 -2.412417 1.273916
H -6.678245 -0.880104 1.500715
H -2.356020 1.628563 0.698485
H -1.502044 0.101664 0.447117
H -8.207413 -1.440906 -0.450480
H -7.358958 -2.972084 -0.674402
H -1.746511 2.411227 -1.606973
H -0.950781 0.884201 -1.963337
H -7.994579 -3.671364 1.681690
H -8.844081 -2.138168 1.907467
H -9.555512 -4.254856 -0.230712
H -10.447909 -3.950787 1.262842
H -10.404963 -2.722748 -0.006235
H 0.143282 4.209938 -2.211251
H 0.086468 3.197127 1.988795
H 0.467358 -0.440097 -0.898377
H 0.119390 6.625388 -1.624565
H 0.053383 5.618017 2.565596
H 0.068776 7.330072 0.760292
H 3.467672 1.225878 0.576437
H 3.917001 -3.680034 -0.381082
H 5.603247 0.032768 1.093990


%chk=000291431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291431

0 1
O 0.144702 -1.966179 -1.152748
O 1.299163 -3.926683 -1.026093
O 6.816090 -2.277086 1.476135
O 5.758373 -4.165960 0.741292
N 1.259503 1.618078 -0.144596
N 1.254054 0.251238 -0.374623
N 1.226736 -2.654953 -0.841760
N 5.798779 -2.893151 0.963956
C -4.195291 -0.318490 0.292165
C -5.377513 -1.059489 -0.372192
C -3.204081 0.278492 -0.732197
C -6.363174 -1.674788 0.646954
C -2.030734 1.030084 -0.066573
C -7.556710 -2.396269 -0.018446
C -1.059686 1.646374 -1.120711
C -8.537262 -3.024577 0.998390
C 0.168107 2.296430 -0.499032
C -9.732609 -3.731590 0.323683
C 0.194136 3.756101 -0.222105
C -0.987297 4.544720 -0.319495
C 1.407833 4.401892 0.158588
C 2.350820 -0.512202 -0.049920
C -0.956783 5.929047 -0.046810
C 1.436775 5.782708 0.425612
C 0.253747 6.555960 0.324357
C 2.366309 -1.942450 -0.271347
C 3.521753 0.085298 0.524163
C 3.499053 -2.717824 0.061165
C 4.616908 -2.085824 0.615834
C 4.635444 -0.680548 0.852383
H -3.653464 -1.020285 0.959453
H -4.588901 0.491103 0.942007
H -5.926056 -0.355945 -1.033206
H -4.983396 -1.861916 -1.029806
H -2.800554 -0.537478 -1.366590
H -3.747822 0.968297 -1.411201
H -5.818354 -2.391429 1.296472
H -6.745473 -0.876175 1.317110
H -2.419327 1.836484 0.586499
H -1.480449 0.332465 0.595584
H -8.107984 -1.677993 -0.661178
H -7.175887 -3.189499 -0.695464
H -1.607995 2.385887 -1.728415
H -0.758270 0.852293 -1.833858
H -7.987836 -3.749341 1.633438
H -8.910481 -2.233951 1.681149
H -9.386604 -4.542200 -0.345381
H -10.414896 -4.178046 1.070347
H -10.319348 -3.020583 -0.288285
H -1.940415 4.082486 -0.595519
H 2.318154 3.800650 0.232274
H 0.454946 -0.278926 -0.778815
H -1.877671 6.517217 -0.123369
H 2.380324 6.261889 0.708832
H 0.277691 7.631569 0.530400
H 3.500730 1.162890 0.694199
H 3.493487 -3.796466 -0.114797
H 5.530105 -0.230258 1.290093


