%chk=000196804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196804

0 1
O -0.924692 2.147197 -1.554695
O -3.876380 2.049210 0.672459
O -1.204843 2.047572 2.098122
O 4.255241 -2.506652 0.688144
N -1.740209 0.205687 -0.414920
N 1.083563 1.761126 -0.384693
N 2.430187 -3.918242 0.738299
C -2.092611 1.545873 -0.951516
C 0.098408 2.784249 -0.794621
C -2.654658 2.529431 0.126025
C -0.427467 -0.290787 -0.227954
C -1.604731 3.020634 1.147634
C 0.795316 0.385209 -0.198804
C -0.402149 3.608757 0.398631
C -0.468520 -1.709565 0.023871
C 2.019797 -0.327783 0.056431
C -2.626596 -0.914531 -0.327434
C -3.028696 1.438778 -2.155523
C 0.722336 -2.383930 0.275275
C 2.488496 1.923885 -0.295200
C -1.863347 -2.099900 -0.045886
C 1.957496 -1.699520 0.291796
C 3.086801 0.648451 -0.002736
C 0.950494 -3.851373 0.560608
C -4.023239 -0.955585 -0.417261
C 3.056283 -2.663372 0.583320
C -2.518753 -3.322443 0.114638
C 3.263301 3.086256 -0.419621
C 4.472361 0.553081 0.162750
C -4.647255 -2.190031 -0.255201
C -3.820904 1.303373 1.911082
C -3.908047 -3.359850 0.002467
C 4.639506 2.952691 -0.251016
C 5.238038 1.709192 0.036344
H 0.565117 3.442781 -1.581195
H -3.031350 3.429634 -0.438192
H -2.074974 3.791090 1.813046
H -0.650981 4.630887 0.048068
H 0.428768 3.748358 1.129793
H -4.076317 1.331838 -1.835455
H -2.952550 2.333577 -2.789592
H -2.778455 0.583063 -2.799101
H 0.421999 -4.182630 1.480732
H 0.618985 -4.493840 -0.283956
H -4.598145 -0.044549 -0.588350
H -0.655741 1.334955 1.699874
H -1.952083 -4.226115 0.324521
H 2.816033 4.047573 -0.639285
H 2.901413 -4.782842 0.937974
H 4.924836 -0.422057 0.386826
H -5.733247 -2.253860 -0.326161
H -3.575400 1.980181 2.735558
H -3.093584 0.488684 1.861278
H -4.845774 0.924050 1.990816
H -4.434314 -4.305350 0.119760
H 5.275694 3.833947 -0.343321
H 6.318046 1.656237 0.160444


%chk=000196804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196804

0 1
O -0.926026 2.169743 -1.670179
O -3.832158 1.982433 0.755176
O -0.957933 1.916061 2.045782
O 4.259798 -2.499005 0.832120
N -1.765762 0.177197 -0.554893
N 1.097996 1.745902 -0.466196
N 2.360690 -3.911170 0.838854
C -2.113064 1.563659 -1.006546
C 0.138736 2.782247 -0.872794
C -2.598263 2.494553 0.163300
C -0.455293 -0.282159 -0.280181
C -1.482249 2.943757 1.139737
C 0.789557 0.394340 -0.231200
C -0.382870 3.641436 0.305423
C -0.495146 -1.692381 -0.004382
C 2.006440 -0.310611 0.080240
C -2.652955 -0.931784 -0.433895
C -3.154953 1.554405 -2.140096
C 0.699785 -2.380585 0.302131
C 2.486204 1.930668 -0.314996
C -1.882638 -2.102519 -0.107426
C 1.935840 -1.704757 0.346208
C 3.083119 0.667789 0.028253
C 0.908562 -3.852130 0.621579
C -4.061190 -1.004943 -0.534293
C 3.013960 -2.680431 0.691962
C -2.525435 -3.352093 0.069186
C 3.250439 3.109376 -0.453719
C 4.483806 0.590148 0.231764
C -4.679365 -2.260256 -0.358276
C -3.782354 1.259104 2.043019
C -3.924364 -3.429604 -0.068426
C 4.643851 3.005217 -0.252152
C 5.251878 1.763343 0.087380
H 0.657949 3.436764 -1.595559
H -2.928551 3.423334 -0.346605
H -1.923857 3.680636 1.834229
H -0.791050 4.581354 -0.111585
H 0.465093 3.902808 0.963449
H -4.179067 1.512779 -1.743454
H -3.037426 2.495147 -2.701575
H -2.984970 0.710905 -2.827289
H 0.345378 -4.164228 1.525205
H 0.591635 -4.506064 -0.216788
H -4.671402 -0.116472 -0.697606
H -0.392186 1.256126 1.567335
H -1.945308 -4.247403 0.315975
H 2.796250 4.073790 -0.705293
H 2.869948 -4.760574 1.076683
H 4.934250 -0.372632 0.493012
H -5.770291 -2.327427 -0.434194
H -3.375200 1.894050 2.847944
H -3.186048 0.333266 1.981927
H -4.837426 1.015551 2.248434
H -4.437161 -4.388124 0.063646
H 5.267800 3.900211 -0.355994
H 6.335496 1.721956 0.240536


