%chk=000214438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214438

0 1
O -0.496705 1.453033 0.403303
N -5.080405 0.163062 0.347306
N -0.647349 -0.809551 0.526076
C -3.678458 -0.228521 0.022256
C -2.741910 0.633044 0.894977
C -6.070653 -0.217268 -0.706911
C -1.324600 0.325583 0.616363
C 0.786825 0.923904 0.171022
C 0.697343 -0.458706 0.233196
C -7.424711 0.388423 -0.312261
C -6.196273 -1.736262 -0.913061
C 1.833693 1.906916 -0.044787
C 1.719581 -1.484689 0.034567
C 3.151452 1.631785 0.360988
C 1.529348 3.138879 -0.650866
C 1.708555 -2.650116 0.820024
C 2.708803 -1.314602 -0.949452
C 4.154474 2.579654 0.148264
C 2.539436 4.080351 -0.857638
C 2.689536 -3.626224 0.630991
C 3.684967 -2.296490 -1.131713
C 3.851840 3.802044 -0.461204
C 3.679531 -3.450666 -0.341333
H -3.466226 -1.307520 0.192707
H -3.472890 -0.029238 -1.052702
H -2.955188 0.467542 1.975517
H -2.951022 1.714630 0.717744
H -5.729313 0.251863 -1.667942
H -5.352277 -0.229991 1.253840
H -8.154782 0.278226 -1.120246
H -7.846398 -0.082992 0.581285
H -7.323843 1.460838 -0.097147
H -5.256203 -2.179450 -1.257063
H -6.957078 -1.969459 -1.665928
H -6.487253 -2.253460 0.006727
H 3.387325 0.682056 0.843615
H 0.503162 3.351996 -0.952564
H 0.926250 -2.789147 1.567840
H 2.709009 -0.421677 -1.574174
H 5.175578 2.365735 0.461498
H 2.303253 5.033754 -1.328250
H 2.680138 -4.527748 1.241482
H 4.450008 -2.163460 -1.894815
H 4.637519 4.537864 -0.624801
H 4.442213 -4.213247 -0.485927


%chk=000214438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214438

0 1
O -0.413500 1.712520 0.152765
N -5.091802 0.190473 0.183082
N -0.691895 -0.545502 0.245917
C -3.681869 -0.163156 -0.083641
C -2.757641 0.941371 0.481357
C -6.122032 -0.557505 -0.586658
C -1.308511 0.625175 0.296727
C 0.879843 1.119755 0.019080
C 0.694710 -0.267753 0.047928
C -7.502399 0.067543 -0.300129
C -6.136905 -2.089123 -0.319471
C 1.999995 2.063864 -0.044370
C 1.630202 -1.392364 -0.143186
C 3.277885 1.728744 0.486420
C 1.806244 3.361881 -0.597119
C 1.280797 -2.670267 0.375785
C 2.842808 -1.261801 -0.875493
C 4.336637 2.659016 0.440882
C 2.867752 4.289284 -0.636827
C 2.134859 -3.777857 0.194961
C 3.693338 -2.372618 -1.057790
C 4.139987 3.941829 -0.124159
C 3.348882 -3.634709 -0.518019
H -3.361639 -1.145920 0.330649
H -3.547223 -0.223201 -1.180240
H -2.970036 1.075326 1.562575
H -2.993332 1.904376 -0.003812
H -5.883486 -0.396744 -1.658031
H -5.304695 0.173639 1.192762
H -8.290490 -0.419425 -0.902536
H -7.773545 -0.052449 0.767653
H -7.490924 1.146393 -0.533435
H -5.150715 -2.546613 -0.520642
H -6.881388 -2.594673 -0.963270
H -6.403475 -2.295952 0.735963
H 3.433623 0.749956 0.951289
H 0.820986 3.632948 -0.989673
H 0.330775 -2.774445 0.908971
H 3.109783 -0.299318 -1.323925
H 5.312508 2.387080 0.858380
H 2.703123 5.282966 -1.068252
H 1.852779 -4.753806 0.606196
H 4.619848 -2.255728 -1.631453
H 4.964264 4.662942 -0.156762
H 4.012173 -4.495453 -0.659646


