%chk=000194139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194139

0 1
O -5.232002 1.661324 1.300489
O -5.462744 2.172736 -0.868555
N -1.119278 -0.004592 0.428378
N 0.930919 1.233201 0.067998
N 2.961750 0.167979 -0.591140
N -5.818123 -0.696113 -1.220193
N -0.930751 -2.477814 0.008411
N 1.343000 -2.474063 -0.556027
C -2.566446 -0.019327 0.768726
C -3.410172 -0.290824 -0.484572
C -4.914526 -0.156937 -0.180489
C -0.464244 -1.200901 0.082456
C 0.951212 -1.165044 -0.268197
C -0.365262 1.162107 0.380977
C 1.645144 0.067823 -0.274222
C -5.252048 1.327291 -0.038277
C 3.701435 1.463050 -0.596681
C 0.213238 -3.211584 -0.381790
C 5.153555 1.197273 -0.839411
C 6.029371 0.828847 0.112179
C 7.471132 0.594596 -0.211388
C 5.649021 0.630665 1.544409
H -2.856672 0.941355 1.251641
H -2.736080 -0.829499 1.523915
H -3.190540 -1.323094 -0.849402
H -3.112360 0.376003 -1.318133
H -5.159768 -0.681976 0.788550
H -0.872487 2.110169 0.634514
H 3.475026 -0.680185 -0.849433
H -5.691607 -1.699004 -1.328890
H -5.660236 -0.255497 -2.124511
H 3.274102 2.124094 -1.388720
H 3.527105 1.994184 0.370591
H 0.163116 -4.282130 -0.524326
H 5.471158 1.328480 -1.872883
H -5.485803 2.607758 1.467982
H 7.749781 -0.455047 -0.035278
H 7.721248 0.820995 -1.256467
H 8.127364 1.213232 0.417564
H 5.419132 1.591513 2.028553
H 4.753346 -0.000577 1.647115
H 6.440597 0.154432 2.137039


%chk=000194139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194139

0 1
O -5.447790 1.711978 0.676569
O -5.880080 1.992016 -1.586477
N -1.287812 0.010866 0.670173
N 0.896622 1.031805 0.875482
N 2.897544 -0.246220 0.709090
N -5.469646 -0.714812 -2.023434
N -1.273545 -2.451161 0.265682
N 1.080294 -2.689454 0.282093
C -2.768479 0.144261 0.658445
C -3.349934 -0.119820 -0.748851
C -4.921562 -0.148034 -0.791653
C -0.686334 -1.232646 0.476501
C 0.743137 -1.352016 0.489047
C -0.440678 1.085565 0.860296
C 1.535700 -0.191255 0.691255
C -5.474772 1.267105 -0.652882
C 3.798489 0.911745 0.893923
C -0.152926 -3.284717 0.159018
C 4.788588 1.021160 -0.247573
C 6.150515 0.966545 -0.172847
C 6.997471 1.109888 -1.427197
C 6.946803 0.778343 1.106996
H -3.025259 1.151202 1.027342
H -3.174996 -0.597738 1.369679
H -3.008338 -1.121129 -1.068683
H -2.968000 0.621053 -1.477139
H -5.267468 -0.731019 0.084376
H -0.921991 2.056187 1.011130
H 3.308365 -1.169827 0.543914
H -5.070337 -1.609243 -2.310185
H -5.620092 -0.040623 -2.777811
H 3.146237 1.801679 0.940870
H 4.311846 0.825740 1.869565
H -0.264790 -4.353892 -0.015082
H 4.325488 1.158433 -1.235730
H -5.811331 2.638469 0.719446
H 7.626844 0.211369 -1.583274
H 6.378264 1.257397 -2.328440
H 7.690912 1.969921 -1.341175
H 7.550247 1.681729 1.324880
H 6.320423 0.573077 1.990132
H 7.662972 -0.059027 0.995030


