%chk=000199400.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199400

0 1
O -3.814639 0.736709 2.011516
O -5.045321 -2.474007 -1.065929
N 3.294624 -2.012368 -0.357496
N 5.437298 -0.068131 -0.155172
N -4.388378 -0.884378 0.506042
N -6.124323 -0.464349 -1.124136
C 4.371433 -1.930235 -1.399586
C 3.862904 -1.616935 0.972228
C 2.711577 -3.395069 -0.317539
C 4.889406 -0.480221 -1.485114
C 4.379281 -0.166316 0.898623
C 1.429162 -3.433809 0.532022
C 0.315718 -2.564116 -0.064885
C -0.957519 -2.616575 0.789030
C 6.302060 1.061199 -0.119472
C -2.056048 -1.725660 0.195988
C -3.330395 -1.800522 1.047276
C 6.533625 1.752052 1.094101
C 7.042409 1.436891 -1.265939
C -4.522441 0.431615 1.074476
C 7.479338 2.773368 1.149851
C 7.983439 2.461185 -1.188086
C -5.154656 -1.363874 -0.583798
C -5.542755 1.289002 0.450321
C 8.208492 3.138994 0.014031
C -6.326593 0.838517 -0.633380
C -5.742726 2.594574 0.945621
C -7.300045 1.682236 -1.217478
C -6.697956 3.423070 0.373158
C -7.473518 2.962099 -0.707740
H 3.932317 -2.214131 -2.380042
H 5.220962 -2.620100 -1.202094
H 4.680044 -2.290159 1.311998
H 3.048841 -1.674279 1.728487
H 2.463426 -3.688786 -1.362169
H 3.429383 -4.153996 0.063299
H 4.068246 0.196357 -1.813024
H 5.694999 -0.425400 -2.251975
H 4.810425 0.118160 1.885124
H 3.533515 0.527229 0.690772
H 1.647470 -3.104183 1.567021
H 1.088921 -4.484608 0.612801
H 0.678026 -1.518578 -0.155366
H 0.095095 -2.889581 -1.099257
H -0.729316 -2.294914 1.824094
H -1.317109 -3.661288 0.864684
H -2.278588 -2.037379 -0.844784
H -1.700911 -0.677688 0.132950
H -3.735869 -2.837855 1.062245
H -3.122479 -1.497043 2.100880
H 5.985360 1.480040 1.993539
H 6.892012 0.918375 -2.210335
H 7.649981 3.293910 2.092068
H 8.549173 2.736957 -2.077845
H 8.940967 3.937920 0.065321
H -6.686001 -0.811388 -1.907646
H -5.129300 2.934712 1.787282
H -7.902902 1.333658 -2.052449
H -6.851585 4.430387 0.756177
H -8.222059 3.623508 -1.149788


%chk=000199400-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199400

0 1
O -3.584196 0.822672 1.862875
O -5.229298 -2.567856 -0.941845
N 3.362583 -2.095665 -0.364131
N 5.382391 -0.015583 -0.181329
N -4.408681 -0.878486 0.483124
N -6.255856 -0.480818 -0.963201
C 4.440015 -1.988412 -1.376124
C 3.878083 -1.641997 0.948149
C 2.769253 -3.457203 -0.322589
C 4.924608 -0.534668 -1.491633
C 4.372669 -0.185517 0.880964
C 1.442868 -3.533919 0.464882
C 0.343916 -2.602998 -0.091103
C -0.970657 -2.670949 0.716580
C 6.271593 1.088020 -0.129367
C -2.058307 -1.725558 0.160103
C -3.357128 -1.802883 0.990849
C 6.178226 2.079246 0.896142
C 7.327256 1.226845 -1.083995
C -4.428190 0.453810 0.994486
C 7.106308 3.140055 0.968096
C 8.240780 2.295741 -1.006919
C -5.290232 -1.386147 -0.501293
C -5.484069 1.335820 0.446855
C 8.146194 3.264479 0.020795
C -6.389791 0.846814 -0.534981
C -5.595257 2.674789 0.896196
C -7.399094 1.694406 -1.059814
C -6.594377 3.518352 0.379781
C -7.494880 3.020876 -0.599957
H 4.041199 -2.312491 -2.355542
H 5.311793 -2.645156 -1.120770
H 4.720253 -2.294883 1.296872
H 3.070976 -1.699292 1.699652
H 2.574636 -3.759555 -1.370840
H 3.493803 -4.201559 0.100816
H 4.085899 0.089003 -1.877868
H 5.745117 -0.487474 -2.223858
H 4.827745 0.063374 1.855144
H 3.498896 0.488929 0.721966
H 1.616406 -3.304857 1.535886
H 1.093090 -4.586286 0.434022
H 0.728221 -1.565059 -0.106150
H 0.141260 -2.871965 -1.148943
H -0.764019 -2.409236 1.775734
H -1.352612 -3.713558 0.718439
H -2.281796 -1.994025 -0.890509
H -1.682795 -0.684375 0.168506
H -3.773668 -2.823221 0.955715
H -3.157049 -1.513908 2.036354
H 5.368235 2.044758 1.630203
H 7.457734 0.481504 -1.874976
H 7.002244 3.883329 1.767617
H 9.042292 2.364664 -1.752058
H 8.861018 4.091869 0.077577
H -6.886943 -0.860877 -1.671382
H -4.880906 3.018749 1.651104
H -8.096645 1.316697 -1.816289
H -6.679802 4.552068 0.728181
H -8.274812 3.674371 -1.005694


