%chk=000296006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296006

0 1
P 0.927946 -0.061310 0.186673
O -5.519137 1.480249 -0.070388
O -3.843118 1.265139 -1.410704
N 0.109725 0.113721 1.637631
N -4.336083 1.262373 -0.289268
C 2.619312 -0.653332 0.603850
C 1.150884 1.501933 -0.772644
C 0.201984 -1.294491 -0.978232
C 3.389993 -1.318443 -0.352933
C 0.519968 2.662458 -0.328659
C 0.203011 -2.631924 -0.576254
C 3.101956 -0.415257 1.890154
C 1.962001 1.509904 -1.910300
C -0.387109 -0.900897 -2.179405
C -1.230168 0.406911 1.689611
C 4.678642 -1.740963 -0.014362
C 0.695078 3.854432 -1.046251
C -0.381421 -3.595915 -1.405558
C 4.395646 -0.843259 2.221437
C 2.133947 2.701372 -2.620670
C -0.972727 -1.870029 -3.003133
C 5.180577 -1.500446 1.271537
C 1.498261 3.872658 -2.188538
C -0.968772 -3.214055 -2.616687
C -2.104149 0.681593 0.607899
C -1.780737 0.456715 3.019422
C -3.446084 0.981931 0.869073
C -3.108803 0.759067 3.231819
C -3.975874 1.030530 2.152243
H 3.012104 -1.528754 -1.355770
H -0.113233 2.675683 0.566218
H 0.642716 -2.949620 0.373755
H 2.490696 0.086921 2.652019
H 2.469422 0.610275 -2.263597
H -0.416081 0.145297 -2.498692
H 5.292781 -2.259842 -0.748317
H 0.199608 4.765185 -0.710636
H -0.388228 -4.641945 -1.102555
H 4.784558 -0.663452 3.222894
H 2.762021 2.721051 -3.509735
H -1.444688 -1.572217 -3.939222
H 6.186655 -1.831112 1.530623
H 1.631720 4.799936 -2.746518
H -1.431478 -3.965293 -3.257433
H -1.777550 0.657806 -0.428909
H -1.111241 0.243521 3.852952
H -3.508550 0.790619 4.246035
H -5.024979 1.266577 2.322322


%chk=000296006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296006

0 1
P 0.901153 -0.092225 0.127947
O -5.583366 1.722693 -0.064962
O -3.844683 1.305547 -1.475647
N 0.103069 0.132297 1.613631
N -4.352771 1.395067 -0.286566
C 2.592318 -0.668743 0.648939
C 1.127766 1.483551 -0.877073
C 0.237433 -1.391314 -1.056558
C 3.547730 -1.063659 -0.316933
C 0.870505 2.709048 -0.218962
C 0.518454 -2.753783 -0.784500
C 2.910493 -0.676508 2.025350
C 1.595135 1.470441 -2.212944
C -0.628698 -1.044934 -2.123282
C -1.252326 0.474462 1.706345
C 4.833802 -1.470592 0.102392
C 1.075886 3.926876 -0.904291
C -0.049287 -3.763486 -1.591408
C 4.199006 -1.084317 2.437323
C 1.802800 2.692290 -2.891412
C -1.194821 -2.059861 -2.925883
C 5.161292 -1.479352 1.478708
C 1.543246 3.920161 -2.238809
C -0.905992 -3.418546 -2.663050
C -2.132172 0.777214 0.621562
C -1.807825 0.535926 3.030231
C -3.478619 1.105260 0.875518
C -3.155534 0.875671 3.250851
C -4.026276 1.166125 2.175104
H 3.297985 -1.068793 -1.384229
H 0.517035 2.701814 0.818521
H 1.174031 -3.024286 0.050915
H 2.137157 -0.369804 2.737298
H 1.785754 0.523192 -2.730111
H -0.867200 0.002512 -2.338516
H 5.575821 -1.779012 -0.641906
H 0.869428 4.876456 -0.399224
H 0.172304 -4.815299 -1.380787
H 4.450559 -1.093001 3.503418
H 2.161880 2.685165 -3.926276
H -1.869191 -1.786314 -3.743993
H 6.160303 -1.793701 1.801006
H 1.700844 4.865795 -2.769059
H -1.350138 -4.203781 -3.284566
H -1.794057 0.767681 -0.416636
H -1.143838 0.303947 3.869265
H -3.538096 0.909022 4.276949
H -5.077297 1.424398 2.319107


