%chk=000224632.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224632

0 1
N -3.855237 0.772321 0.390893
N -0.392809 -1.328292 -0.279561
N 3.726544 -1.523105 0.689691
C -2.754434 -2.009465 -0.202665
C -1.301687 -2.507162 -0.341892
C -3.053051 -1.459226 1.196988
C -4.215891 -0.451396 1.184630
C -1.109424 -3.263247 -1.663645
C -5.077568 1.594014 0.096154
C -2.809795 1.584575 1.100737
C 0.959732 -1.414626 0.007702
C 1.775431 -0.214373 -0.073750
C 3.148516 -0.324752 0.280005
C -5.913046 0.920407 -0.994030
C -2.175169 2.592270 0.140776
C 1.566953 -2.606814 0.412558
C 1.280801 1.056205 -0.486740
C 2.096065 2.164394 -0.547637
C 3.485340 2.048923 -0.184329
C 3.987534 0.833287 0.216864
C 2.943382 -2.604499 0.743762
C 1.547135 3.483643 -0.989922
C 4.375059 3.248725 -0.245556
H -3.451115 -2.834161 -0.442259
H -2.965449 -1.223814 -0.961982
H -1.051377 -3.190551 0.513919
H -2.147750 -0.971089 1.619133
H -3.295629 -2.287546 1.888884
H -5.104238 -0.921915 0.706688
H -4.509823 -0.212960 2.229724
H -0.772060 -0.450598 -0.634412
H -1.386877 -2.653709 -2.530933
H -0.060965 -3.558211 -1.804987
H -1.713505 -4.175614 -1.693537
H -5.700757 1.777823 0.997782
H -4.747463 2.592963 -0.267929
H -3.203948 2.107387 1.998317
H -2.021030 0.882448 1.463915
H -5.292033 0.674730 -1.865938
H -6.362812 -0.016827 -0.647576
H -6.721629 1.576933 -1.330769
H -1.958425 2.128718 -0.830544
H -2.834752 3.445389 -0.053808
H -1.236187 2.981905 0.550134
H 1.009204 -3.531580 0.485465
H 0.227870 1.143699 -0.759349
H 5.034913 0.709862 0.497984
H 3.423058 -3.537408 1.067636
H 0.483138 3.432714 -1.253242
H 1.650778 4.241788 -0.200997
H 2.079307 3.857315 -1.876504
H 4.011182 4.049401 0.413599
H 5.405905 3.023737 0.060540
H 4.424284 3.656667 -1.265088


%chk=000224632-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224632

0 1
N -3.963732 0.874476 0.513909
N -0.354727 -1.370708 -0.329875
N 3.851272 -1.655186 0.479933
C -2.734113 -1.931964 -0.110561
C -1.309280 -2.499064 -0.316869
C -2.971870 -1.315497 1.285556
C -4.194368 -0.369460 1.304845
C -1.216601 -3.344411 -1.612304
C -5.220810 1.425827 -0.066874
C -3.206643 1.891261 1.298872
C 1.002735 -1.465984 -0.076079
C 1.851223 -0.282414 -0.143539
C 3.259751 -0.440225 0.139025
C -5.710154 0.639511 -1.297970
C -2.481769 2.926366 0.417622
C 1.627334 -2.688600 0.267389
C 1.369817 1.023986 -0.469173
C 2.210394 2.144042 -0.530456
C 3.619683 1.982330 -0.255030
C 4.104962 0.711500 0.070112
C 3.023378 -2.719836 0.534267
C 1.649330 3.510769 -0.880036
C 4.556585 3.175105 -0.316434
H -3.465362 -2.742837 -0.295423
H -2.924389 -1.150907 -0.876248
H -1.057239 -3.143448 0.550998
H -2.067298 -0.760390 1.602381
H -3.123827 -2.118428 2.035011
H -5.060793 -0.901698 0.869055
H -4.470026 -0.127581 2.360947
H -0.737832 -0.469945 -0.617639
H -1.565698 -2.756687 -2.481295
H -0.177711 -3.660926 -1.809997
H -1.846424 -4.249889 -1.532340
H -6.034452 1.473667 0.700894
H -5.022284 2.468129 -0.375451
H -3.874217 2.418207 2.027705
H -2.451266 1.354949 1.902267
H -4.932816 0.640004 -2.082205
H -5.944599 -0.412151 -1.051774
H -6.628369 1.098421 -1.709849
H -1.802383 2.415410 -0.288041
H -3.186197 3.537877 -0.174415
H -1.884782 3.614771 1.044261
H 1.059599 -3.620135 0.330359
H 0.304520 1.186599 -0.681476
H 5.166269 0.551654 0.288277
H 3.490624 -3.676063 0.803226
H 0.559381 3.466883 -1.048259
H 1.837127 4.246871 -0.074422
H 2.116031 3.920997 -1.796598
H 4.259905 3.964341 0.401326
H 5.592208 2.877457 -0.082433
H 4.556101 3.642329 -1.320267


