%chk=000183995.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183995

0 1
O 1.528270 -2.868573 -0.245238
N 0.425276 0.376001 -0.408725
N -0.425537 -0.138684 0.343027
C 2.507831 1.586811 -0.138741
C 1.810964 0.360715 0.005637
C -2.529397 1.155691 0.131699
C 1.801323 2.849401 -0.557233
C -1.814791 -0.047577 -0.058040
C 2.485251 -0.793963 0.435490
C -1.850437 2.426374 0.570822
C 3.884655 1.608219 0.115874
C -2.460689 -1.219434 -0.514244
C 3.864095 -0.749771 0.673001
C -3.914639 1.152367 -0.085335
C 4.560425 0.448522 0.508031
C 1.774978 2.975825 -2.079736
C -3.847678 -1.183493 -0.725004
C -4.567971 -0.008541 -0.504306
C -1.630372 2.443013 2.082417
C 1.760515 -2.097073 0.655010
C -1.693107 -2.450814 -0.771452
C 1.359844 -2.352495 2.075983
C -1.882137 -3.227945 -1.838116
H 0.753846 2.865022 -0.165857
H 2.295121 3.734978 -0.108776
H -0.874359 2.558713 0.042581
H -2.454583 3.306914 0.268960
H 4.438181 2.540220 -0.000883
H 4.392671 -1.651398 0.981501
H -4.486487 2.065488 0.073035
H 5.634807 0.481867 0.686903
H 2.785215 2.982105 -2.504232
H 1.271769 3.895777 -2.394732
H 1.236225 2.130642 -2.533410
H -4.361521 -2.083409 -1.061337
H -5.645290 0.004568 -0.665289
H -2.578885 2.352073 2.625706
H -1.149594 3.372485 2.404953
H -0.994178 1.608350 2.404761
H -0.921698 -2.688633 -0.028585
H 0.491348 -1.723232 2.341056
H 2.154918 -2.113771 2.792066
H 1.059608 -3.398138 2.230724
H -1.296657 -4.120325 -2.018785
H -2.608829 -3.027574 -2.612281


%chk=000183995-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183995

0 1
O 1.726631 -3.011548 -0.098760
N 0.452149 0.831667 0.064883
N -0.261113 -0.220877 -0.242597
C 2.710168 1.720247 0.029578
C 1.851980 0.579446 0.147904
C -2.468258 1.070537 -0.028741
C 2.148097 3.117521 -0.177234
C -1.680534 -0.109610 -0.306704
C 2.397408 -0.734993 0.323532
C -1.910106 2.412384 0.428279
C 4.108310 1.509956 0.043756
C -2.326570 -1.343443 -0.709430
C 3.800181 -0.904315 0.298296
C -3.871752 0.974645 -0.164411
C 4.654428 0.211958 0.160677
C 1.768538 3.393738 -1.657520
C -3.741038 -1.369936 -0.824796
C -4.508978 -0.226627 -0.552478
C -1.569079 2.436699 1.942715
C 1.562260 -1.964252 0.594984
C -1.524927 -2.549328 -1.017483
C 0.731011 -1.999149 1.878086
C -2.006862 -3.819098 -1.134132
H 1.250658 3.254330 0.451724
H 2.901332 3.860254 0.147523
H -1.001451 2.666741 -0.139930
H -2.671544 3.189488 0.224372
H 4.774573 2.375735 -0.049004
H 4.210140 -1.914276 0.403263
H -4.476675 1.866946 0.036115
H 5.740718 0.070936 0.159705
H 2.641445 3.265925 -2.322926
H 1.392389 4.426272 -1.777151
H 0.979728 2.697413 -1.993379
H -4.233852 -2.288692 -1.156893
H -5.599460 -0.258120 -0.654183
H -2.451879 2.172160 2.552555
H -1.231705 3.445469 2.244257
H -0.757953 1.724755 2.173022
H -0.450296 -2.392968 -1.141131
H 0.484723 -0.997093 2.263239
H 1.325583 -2.529630 2.648658
H -0.192461 -2.577248 1.711159
H -1.326535 -4.644428 -1.366841
H -3.061118 -4.082293 -0.983657


