%chk=000218972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218972

0 1
O -0.173106 0.691528 2.837222
O 1.298854 0.010726 0.655583
N -2.649853 0.269366 0.240152
C -2.711245 -0.009564 -1.237698
C -3.964133 0.828052 0.712232
C -4.235756 -0.097482 -1.558790
C -4.986038 0.151452 -0.244284
C -1.428572 0.918089 0.770549
C -2.053082 1.078979 -2.107632
C -2.018160 -1.360218 -1.488255
C -4.060255 2.363080 0.591791
C -4.191221 0.407937 2.171214
C -0.766749 -0.060327 1.772241
C 0.299821 -0.949390 1.110761
C 2.459942 -0.483900 0.088096
C 3.378399 0.533961 -0.287051
C 2.735562 -1.834053 -0.123588
C 4.578562 0.144881 -0.876740
C 3.952891 -2.193353 -0.718612
C 3.062381 1.971120 -0.040698
C 4.876261 -1.215643 -1.096763
C 6.176838 -1.590880 -1.731035
H -4.498621 -1.079236 -1.984242
H -4.523766 0.646458 -2.319772
H -5.880013 0.774958 -0.392486
H -5.340275 -0.802468 0.184561
H -0.703998 1.184017 -0.031443
H -1.652676 1.867146 1.310362
H -0.978483 1.162778 -1.901170
H -2.158213 0.852723 -3.172753
H -2.500282 2.062031 -1.928062
H -0.971754 -1.341367 -1.146756
H -2.519506 -2.162731 -0.934181
H -2.020399 -1.622573 -2.549057
H -5.030915 2.728413 0.938702
H -3.292419 2.861665 1.194624
H -3.932235 2.689855 -0.445116
H -5.194455 0.679343 2.511149
H -4.073381 -0.675271 2.294356
H -3.470205 0.885277 2.845780
H -1.527204 -0.686511 2.297111
H -0.104505 -1.487746 0.228223
H 0.765172 -1.642366 1.829706
H 0.659888 1.117806 2.531106
H 2.032706 -2.609774 0.162318
H 5.301585 0.903913 -1.172493
H 4.170778 -3.246988 -0.882875
H 3.528744 2.318531 0.892811
H 3.421231 2.617759 -0.851450
H 1.978573 2.137703 0.057789
H 6.280658 -1.136154 -2.726257
H 7.027699 -1.249493 -1.124475
H 6.288227 -2.674956 -1.859510


%chk=000218972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218972

0 1
O 0.041734 1.542129 2.882329
O 1.236999 0.278776 0.692386
N -2.486520 0.513424 0.224053
C -2.407605 0.486698 -1.286072
C -3.905114 0.382636 0.696885
C -3.822434 -0.042765 -1.704232
C -4.482802 -0.548247 -0.401568
C -1.544755 1.340374 0.991817
C -2.148659 1.880238 -1.934176
C -1.289859 -0.485604 -1.745289
C -4.682650 1.737551 0.735606
C -3.986373 -0.277583 2.093081
C -0.711390 0.573933 2.063263
C 0.241055 -0.474808 1.483990
C 2.322735 -0.428283 0.134856
C 3.271708 0.369981 -0.568609
C 2.485912 -1.826824 0.239464
C 4.379111 -0.283341 -1.149610
C 3.610691 -2.444818 -0.355978
C 3.077080 1.868911 -0.677508
C 4.576132 -1.688236 -1.057607
C 5.788053 -2.345445 -1.696709
H -3.742684 -0.833576 -2.470416
H -4.418725 0.778516 -2.143296
H -5.586232 -0.512947 -0.439364
H -4.177210 -1.589274 -0.187570
H -0.824426 1.822954 0.306058
H -2.053166 2.163352 1.538326
H -1.121427 2.242841 -1.742091
H -2.269609 1.810018 -3.031395
H -2.859580 2.636692 -1.556289
H -0.305689 -0.167539 -1.356487
H -1.495800 -1.508757 -1.381793
H -1.224187 -0.513780 -2.849770
H -5.703050 1.585345 1.134054
H -4.177235 2.470039 1.391983
H -4.771890 2.184251 -0.270251
H -5.036004 -0.532558 2.330970
H -3.388096 -1.206214 2.116291
H -3.623457 0.399026 2.889073
H -1.385980 0.071428 2.775038
H -0.310048 -1.183501 0.838015
H 0.757269 -1.016006 2.300681
H 0.824358 1.826493 2.340599
H 1.753274 -2.440369 0.771445
H 5.115064 0.324075 -1.692751
H 3.731133 -3.531288 -0.269917
H 3.066357 2.346920 0.320374
H 3.883903 2.330134 -1.272101
H 2.108910 2.114688 -1.152674
H 5.822468 -2.159073 -2.786915
H 6.731905 -1.954885 -1.270842
H 5.780101 -3.438593 -1.544161


