%chk=000202828.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202828

0 1
O -0.851575 -0.340720 0.868754
N -4.419033 -0.275825 -0.272982
C 1.461151 -0.144123 1.589875
C 1.968968 -0.864952 0.274263
C 3.858192 0.704643 1.186481
C 2.583541 0.817771 2.110879
C 3.233141 -1.617008 0.677810
C 2.369081 0.229152 -0.709258
C 4.257672 -0.769027 1.173087
C 3.395808 1.076802 -0.219963
C 0.148306 0.615117 1.356903
C 3.433145 -3.000766 0.614447
C 1.814480 0.452958 -1.967607
C 5.477016 -1.306762 1.599987
C 3.861691 2.138008 -0.993750
C 4.662444 -3.544060 1.041375
C 2.287815 1.517811 -2.750449
C 5.680457 -2.700590 1.531850
C 3.308610 2.357524 -2.265320
C -2.154695 0.286766 0.617402
C -3.054317 -0.785158 -0.023458
C -5.273369 -0.331010 0.935510
C -5.053259 -0.657521 -1.558242
C -6.730623 0.141025 0.726623
C -5.684438 0.556610 -2.287271
C -6.894575 1.418983 -0.136205
C -6.980533 1.111648 -1.652589
H 1.267044 -0.936568 2.336079
H 1.178032 -1.523272 -0.117282
H 4.667458 1.359515 1.553008
H 2.861241 0.564229 3.149208
H 2.233323 1.867834 2.103407
H 0.293659 1.426625 0.609165
H -0.199537 1.077660 2.308767
H 2.640404 -3.655719 0.234342
H 1.015814 -0.198637 -2.340534
H 6.268930 -0.650803 1.980909
H 4.655416 2.793073 -0.615265
H 4.828662 -4.626032 0.989345
H 1.862414 1.695205 -3.744672
H 6.634308 -3.129913 1.858826
H 3.675190 3.184673 -2.883686
H -2.585088 0.657606 1.573811
H -2.048655 1.150625 -0.073201
H -2.588606 -1.081539 -0.980349
H -3.048186 -1.687870 0.634920
H -4.804116 0.310796 1.708279
H -5.299608 -1.368068 1.364108
H -5.814043 -1.464373 -1.431485
H -4.266364 -1.076396 -2.213400
H -7.161220 0.305238 1.734200
H -7.330852 -0.670396 0.268605
H -5.900601 0.270239 -3.338318
H -4.914212 1.351747 -2.315170
H -6.057968 2.117346 0.063071
H -7.826654 1.937955 0.164440
H -7.804854 0.383947 -1.810173
H -7.271435 2.032478 -2.197703


%chk=000202828-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202828

0 1
O -0.874670 -0.383227 0.843957
N -4.454841 -0.379559 -0.252844
C 1.433966 -0.143782 1.565639
C 1.966120 -0.869055 0.262125
C 3.826664 0.731959 1.187460
C 2.537601 0.837811 2.092185
C 3.233728 -1.603128 0.687902
C 2.365937 0.221742 -0.725801
C 4.243646 -0.737050 1.191633
C 3.379466 1.087964 -0.228321
C 0.113607 0.594899 1.311035
C 3.453246 -2.992599 0.637046
C 1.820660 0.431977 -2.006665
C 5.470594 -1.260263 1.640816
C 3.846775 2.159444 -1.012768
C 4.689821 -3.521238 1.085999
C 2.295001 1.506393 -2.800544
C 5.693929 -2.659300 1.585301
C 3.303691 2.366150 -2.306055
C -2.172688 0.229908 0.537491
C -3.087959 -0.880764 -0.009183
C -5.325905 -0.462209 0.937872
C -5.075381 -0.665232 -1.566088
C -6.739515 0.137745 0.744388
C -5.621692 0.613792 -2.252161
C -6.786953 1.458790 -0.066343
C -6.881895 1.224109 -1.595983
H 1.241419 -0.932351 2.316502
H 1.187992 -1.540127 -0.133949
H 4.623317 1.399339 1.559469
H 2.803352 0.598387 3.137029
H 2.174529 1.883393 2.068854
H 0.253189 1.390607 0.545210
H -0.243227 1.075727 2.250409
H 2.673602 -3.659990 0.251254
H 1.035183 -0.232542 -2.385283
H 6.249415 -0.591829 2.027313
H 4.627468 2.827027 -0.628635
H 4.870196 -4.601460 1.043834
H 1.881108 1.671314 -3.801912
H 6.648595 -3.074762 1.927747
H 3.668115 3.193091 -2.926242
H -2.607819 0.682163 1.456420
H -2.056434 1.034010 -0.220761
H -2.649522 -1.253284 -0.952738
H -3.071480 -1.732605 0.710977
H -4.818712 0.082714 1.759892
H -5.439404 -1.521844 1.289578
H -5.885730 -1.428376 -1.487299
H -4.301542 -1.104556 -2.224079
H -7.165801 0.294824 1.754877
H -7.399216 -0.601820 0.247908
H -5.851113 0.383056 -3.314149
H -4.802450 1.359009 -2.247551
H -5.896615 2.074433 0.168441
H -7.676087 2.040884 0.248591
H -7.750978 0.559546 -1.788177
H -7.109305 2.185247 -2.100221


