%chk=000200291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200291

0 1
O 2.325353 -0.238721 -0.420525
O 3.741697 -1.701227 0.620424
N -4.486738 -0.518457 -0.716910
C -2.404674 0.744213 -0.179964
C -2.536197 0.593935 -1.727761
C -3.789871 0.257541 0.357069
C -2.177425 2.225192 0.206124
C -3.955722 0.055346 -1.997090
C -1.222946 -0.083872 0.314357
C -2.035514 2.441384 1.718992
C -4.215905 -1.982773 -0.611784
C 0.046178 0.155741 -0.232801
C -1.356072 -1.068261 1.308218
C -1.841643 3.917675 2.057668
C 1.136200 -0.598670 0.223585
C -0.252203 -1.804671 1.743465
C 1.018645 -1.582995 1.205688
C 3.568113 -0.825585 -0.183040
C 4.533341 -0.153030 -1.116673
C 5.939815 -0.099773 -0.505951
C 6.948106 0.486381 -1.487299
H -2.369402 1.550449 -2.246113
H -1.779809 -0.103517 -2.127245
H -4.442678 1.129238 0.583078
H -3.708316 -0.319027 1.297786
H -3.016719 2.835242 -0.181892
H -1.271890 2.607714 -0.304045
H -3.972742 -0.680386 -2.820446
H -4.644184 0.878158 -2.286132
H -2.927073 2.051839 2.247149
H -1.177061 1.853556 2.103562
H -4.640880 -2.356361 0.332908
H -3.151511 -2.259759 -0.649236
H -4.740951 -2.502450 -1.428516
H 0.204022 0.914163 -0.996289
H -2.335672 -1.261492 1.750087
H -1.738629 4.063655 3.139044
H -0.940137 4.325495 1.586372
H -2.690368 4.525402 1.724484
H -0.379284 -2.564676 2.515192
H 1.881892 -2.157824 1.545081
H 4.544346 -0.712038 -2.078840
H 4.177327 0.867751 -1.379317
H 6.252598 -1.120465 -0.198485
H 5.922416 0.501291 0.425935
H 7.949288 0.531251 -1.040256
H 6.681307 1.506392 -1.788077
H 7.028472 -0.115875 -2.399979


%chk=000200291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000200291

0 1
O 2.441180 -0.202537 -0.348267
O 4.064892 -1.241427 1.011418
N -4.329690 -0.579569 -1.021599
C -2.387645 0.696594 -0.077553
C -2.367255 0.685722 -1.652513
C -3.770829 -0.032137 0.246042
C -2.445876 2.188975 0.411491
C -3.840356 0.381918 -2.049566
C -1.147065 0.019463 0.533456
C -2.596505 2.410462 1.933620
C -3.930579 -1.983443 -1.293116
C 0.109993 0.140607 -0.108939
C -1.182430 -0.667948 1.777826
C -2.718236 3.909173 2.286889
C 1.274858 -0.421113 0.455781
C -0.011276 -1.226566 2.332050
C 1.240379 -1.119099 1.684325
C 3.749413 -0.626060 -0.027459
C 4.683036 -0.212971 -1.153685
C 6.163052 -0.530942 -0.862487
C 7.076836 -0.128829 -2.038737
H -2.004431 1.641601 -2.071892
H -1.712388 -0.121275 -2.027704
H -4.483434 0.717326 0.640715
H -3.681437 -0.839347 0.990645
H -3.297684 2.677971 -0.107835
H -1.526402 2.706909 0.069455
H -3.946969 -0.037560 -3.064362
H -4.454181 1.302463 -1.992580
H -3.490871 1.873144 2.308358
H -1.725545 1.976369 2.460061
H -4.338663 -2.635501 -0.501000
H -2.828310 -2.155405 -1.344464
H -4.374531 -2.303227 -2.252726
H 0.209091 0.673540 -1.059493
H -2.125299 -0.767003 2.324948
H -2.810438 4.059668 3.378135
H -1.828561 4.470138 1.943037
H -3.606156 4.362268 1.806352
H -0.065871 -1.756095 3.289816
H 2.143683 -1.551181 2.114085
H 4.346075 -0.725121 -2.077296
H 4.536956 0.867805 -1.345142
H 6.268781 -1.610464 -0.647747
H 6.474910 -0.004755 0.059125
H 8.133920 -0.360364 -1.816002
H 7.007161 0.955048 -2.250142
H 6.801598 -0.670126 -2.963722


