%chk=000278549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278549

0 1
N 2.722083 -0.032049 -0.306971
N 2.440019 1.199334 0.376747
C 2.445249 -1.192940 0.624580
C 1.714169 2.136308 -0.565216
C 0.929288 -1.471737 0.691620
C 0.225319 1.743960 -0.663698
C 0.292386 -1.783375 -0.666805
C -0.510644 1.749066 0.680326
C -1.210479 -2.057632 -0.534430
C -1.984357 1.358193 0.516810
C 3.240080 -2.408921 0.128566
C 1.906054 3.572657 -0.058773
C -1.839322 -2.422266 -1.885529
C -2.735607 1.415411 1.853305
C -3.344363 -2.654153 -1.765515
C -4.193391 0.984811 1.702399
H 2.782204 -0.950979 1.670094
H 2.142792 2.065417 -1.602732
H 0.747490 -2.300269 1.399701
H 0.435597 -0.568967 1.129305
H -0.277511 2.419536 -1.379006
H 0.171445 0.718841 -1.107046
H 0.459851 -0.912009 -1.343824
H 0.800188 -2.642173 -1.141105
H -0.001821 1.028960 1.364565
H -0.426224 2.740300 1.160656
H 3.706970 -0.075486 -0.617053
H 3.306563 1.656210 0.706006
H -1.389816 -2.867608 0.196213
H -1.717701 -1.154141 -0.116319
H -2.476612 2.017606 -0.221385
H -2.050388 0.326352 0.093339
H 3.037361 -2.617208 -0.930141
H 2.960577 -3.308685 0.688547
H 4.319234 -2.273476 0.242806
H 1.612018 3.670288 0.994486
H 1.282260 4.270642 -0.628829
H 2.942517 3.909421 -0.149908
H -1.352478 -3.329198 -2.294075
H -1.642761 -1.617480 -2.620749
H -2.689583 2.441820 2.266610
H -2.229899 0.768251 2.596477
H -3.571669 -3.470667 -1.071006
H -3.783738 -2.914488 -2.734549
H -3.861250 -1.759809 -1.399425
H -4.732740 1.629402 0.999324
H -4.721143 1.029656 2.661209
H -4.272816 -0.043124 1.330798


%chk=000278549-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278549

0 1
N 2.660883 0.055227 -0.460327
N 2.413228 1.077783 0.529435
C 2.728162 -1.315276 0.122404
C 1.888249 2.341675 -0.062829
C 1.326805 -1.792262 0.578119
C 0.427146 2.162006 -0.544312
C 0.309497 -2.024712 -0.559433
C -0.615457 1.954298 0.575041
C -1.107324 -2.347734 -0.033331
C -2.027864 1.658292 0.021578
C 3.380502 -2.243277 -0.923629
C 2.056430 3.462681 0.984118
C -2.140714 -2.571095 -1.161044
C -3.085539 1.443473 1.128292
C -3.549938 -2.916265 -0.632515
C -4.500845 1.178743 0.570311
H 3.381700 -1.313386 1.032452
H 2.493719 2.621598 -0.962911
H 1.452878 -2.724915 1.166895
H 0.931248 -1.023535 1.270573
H 0.151860 3.049219 -1.152482
H 0.414003 1.287382 -1.223529
H 0.277573 -1.118154 -1.195075
H 0.645081 -2.857584 -1.211073
H -0.280995 1.118627 1.220829
H -0.667705 2.854276 1.221615
H 3.508550 0.251998 -1.030145
H 3.249167 1.270412 1.117793
H -1.067477 -3.252419 0.610100
H -1.453540 -1.518961 0.619961
H -2.351125 2.494570 -0.634533
H -1.987791 0.756370 -0.625143
H 2.831849 -2.201792 -1.880962
H 3.376560 -3.288242 -0.566654
H 4.432470 -1.955878 -1.116520
H 1.569075 3.187809 1.936108
H 1.601292 4.400691 0.620357
H 3.125878 3.663376 1.190056
H -1.784650 -3.385360 -1.825400
H -2.191966 -1.658805 -1.790546
H -3.107565 2.334983 1.788308
H -2.772812 0.592509 1.768090
H -3.529445 -3.842520 -0.027346
H -4.269280 -3.067507 -1.458715
H -3.940337 -2.105708 0.012216
H -4.852559 2.033060 -0.038822
H -5.235010 1.016145 1.381173
H -4.508468 0.281785 -0.078151


