%chk=000292012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292012

0 1
O -7.297648 -1.062176 0.657083
N 1.960901 -0.303322 -0.266445
N 0.423903 1.316769 -1.423230
N 2.835993 1.500609 -1.426984
N -1.910378 1.420350 -1.568902
N -0.859433 -0.373656 -0.277361
C -3.278870 -0.235450 -0.438049
C -4.634567 -0.764072 -0.083860
C 3.364255 -0.377901 -0.149835
C 3.891033 0.746679 -0.875523
C -5.161584 -0.129469 1.211648
C -3.133328 0.918334 -1.252889
C -2.101045 -0.857389 0.028333
C 5.576448 -1.081384 0.422250
C 6.114111 0.037117 -0.298996
C 1.701902 0.849310 -1.045978
C 4.204683 -1.293293 0.500039
C 5.281680 0.943395 -0.942290
C -0.801467 0.755755 -1.067506
C -4.297482 1.655576 -1.822547
C -2.114801 -2.083895 0.878224
C -6.602401 -0.511963 1.480225
C 6.501749 -2.039335 1.103682
C 7.596056 0.234838 -0.362528
C -7.117810 -0.154249 2.846089
H -5.361045 -0.584085 -0.907762
H -4.617226 -1.869212 0.019108
H -5.084702 0.976549 1.151718
H -4.517594 -0.411024 2.067340
H 3.788937 -2.136243 1.042408
H 1.274834 -0.934563 0.127572
H 5.672510 1.796746 -1.493881
H 0.411933 2.164414 -2.014923
H -4.851104 1.029151 -2.540107
H -5.004761 1.968503 -1.041570
H -3.985796 2.564618 -2.366958
H -2.720375 -1.941034 1.784566
H -2.535582 -2.940451 0.327821
H -1.103847 -2.378795 1.204187
H 7.119247 -1.528496 1.856404
H 5.969617 -2.848519 1.619603
H 7.185604 -2.511509 0.383684
H 7.876638 1.124327 -0.942263
H 8.025894 0.357871 0.641402
H 8.093493 -0.624570 -0.833555
H -8.214026 -0.251134 2.891277
H -6.711099 -0.825597 3.614272
H -6.865953 0.870777 3.141205


%chk=000292012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292012

0 1
O -7.260797 -1.294129 0.778227
N 1.918578 -0.203402 -0.314349
N 0.433419 1.368667 -1.451012
N 2.835798 1.557216 -1.474754
N -1.884134 1.455261 -1.612143
N -0.807662 -0.319748 -0.324690
C -3.245345 -0.221719 -0.466788
C -4.610465 -0.765244 -0.087041
C 3.309377 -0.332219 -0.167820
C 3.865086 0.774311 -0.897631
C -5.159133 -0.129533 1.216159
C -3.105443 0.940488 -1.293706
C -2.041109 -0.827444 -0.007000
C 5.526504 -1.094582 0.443716
C 6.099379 0.010292 -0.282595
C 1.707308 0.928913 -1.094697
C 4.122761 -1.265665 0.500557
C 5.266302 0.937455 -0.948876
C -0.786418 0.805779 -1.109869
C -4.297783 1.662295 -1.882471
C -2.038457 -2.078725 0.844953
C -6.574514 -0.598948 1.573363
C 6.430249 -2.086854 1.156662
C 7.608808 0.182536 -0.335736
C -7.103014 -0.190148 2.943549
H -5.342906 -0.588492 -0.893524
H -4.574293 -1.861333 0.043086
H -5.183861 0.977051 1.126238
H -4.488281 -0.329566 2.076457
H 3.695519 -2.109222 1.054085
H 1.119220 -0.754367 0.030240
H 5.696895 1.777953 -1.502692
H 0.396167 2.205348 -2.037189
H -4.832605 1.021086 -2.608494
H -5.031328 1.953444 -1.108520
H -3.950582 2.566331 -2.404391
H -2.687909 -1.973428 1.732232
H -2.408683 -2.950190 0.272584
H -1.013276 -2.296620 1.181165
H 7.047920 -1.594204 1.932886
H 5.842752 -2.880212 1.650032
H 7.134521 -2.576094 0.456010
H 7.885016 1.072293 -0.926565
H 8.044781 0.301479 0.675407
H 8.106853 -0.693825 -0.794766
H -8.198318 -0.298001 2.978336
H -6.664450 -0.850603 3.717554
H -6.814952 0.845222 3.200021


