%chk=000221790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221790

0 1
N -0.679897 0.766292 0.298547
N 0.633628 0.824417 -0.230163
C -1.551892 1.974696 0.030280
C -0.636828 0.484316 1.778671
C 1.437383 2.054082 0.136617
C 0.602922 0.660715 -1.728289
C -3.001991 1.589491 0.191593
C 0.077792 -0.813898 2.067551
C 2.906313 1.764784 -0.052383
C -0.038037 -0.648267 -2.122300
C -3.869115 2.417964 0.918640
C 1.151748 -0.838878 2.968996
C 3.464654 0.579493 0.451018
C 0.461167 -1.858566 -1.616617
C -3.494035 0.418828 -0.406396
C -0.353371 -2.005757 1.464808
C 3.723778 2.695903 -0.709429
C -1.111098 -0.661125 -3.025057
C -5.220016 2.078216 1.040466
C 1.781571 -2.050338 3.271343
C 4.830075 0.331307 0.297914
C -0.105182 -3.069953 -2.018229
C -4.843136 0.083261 -0.277337
C 0.281272 -3.211676 1.768947
C 5.091195 2.443094 -0.855633
C -1.672306 -1.877907 -3.425340
C -5.709354 0.912586 0.443951
C 1.347354 -3.237602 2.675258
C 5.646576 1.262734 -0.353280
C -1.170328 -3.082917 -2.925925
H -1.392333 2.299830 -1.024497
H -1.294871 2.846065 0.668459
H -1.700096 0.390664 2.113412
H -0.191733 1.319564 2.363237
H 1.262529 2.283468 1.213902
H 1.130459 2.958422 -0.429552
H 1.668913 0.654525 -2.067347
H 0.109926 1.513900 -2.244543
H -3.498500 3.325606 1.388660
H 1.500965 0.080021 3.433605
H 2.819605 -0.150283 0.949088
H 1.277503 -1.841009 -0.892099
H -2.810019 -0.231577 -0.959426
H -1.170907 -1.975993 0.742045
H 3.301660 3.615995 -1.106079
H -1.512773 0.271036 -3.414838
H -5.891350 2.724047 1.603381
H 2.612759 -2.066585 3.973435
H 5.259451 -0.590844 0.686240
H 0.283937 -4.006287 -1.622911
H -5.220969 -0.827458 -0.739246
H -0.055237 -4.133579 1.298554
H 5.723874 3.168340 -1.363963
H -2.502971 -1.884424 -4.128205
H -6.760263 0.649683 0.541227
H 1.836946 -4.178611 2.913614
H 6.710277 1.067690 -0.469441
H -1.606622 -4.027801 -3.240335


%chk=000221790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221790

0 1
N -0.690189 0.856069 0.355804
N 0.608492 0.922717 -0.291567
C -1.566912 2.054939 0.151250
C -0.579232 0.481424 1.787629
C 1.427545 2.137275 0.030172
C 0.516696 0.672070 -1.751799
C -3.043028 1.726761 0.340299
C -0.035733 -0.916279 2.034773
C 2.916515 1.887799 -0.175603
C 0.091716 -0.740271 -2.119316
C -3.895106 2.611912 1.045550
C 1.016669 -1.122692 2.959995
C 3.518550 0.706167 0.330120
C 0.846041 -1.853803 -1.672835
C -3.593368 0.546166 -0.222827
C -0.620573 -2.041351 1.402393
C 3.726778 2.840082 -0.841244
C -1.022844 -0.964404 -2.963529
C -5.274794 2.331569 1.180298
C 1.474250 -2.427614 3.257864
C 4.904633 0.488065 0.176357
C 0.496005 -3.162766 -2.067166
C -4.969610 0.263060 -0.086309
C -0.166269 -3.344948 1.695335
C 5.116359 2.624005 -0.994381
C -1.378917 -2.274835 -3.360374
C -5.816806 1.155674 0.613129
C 0.880590 -3.544684 2.626931
C 5.709796 1.446815 -0.484544
C -0.617098 -3.379105 -2.914645
H -1.401054 2.399712 -0.888283
H -1.289741 2.905284 0.820141
H -1.610040 0.549387 2.188008
H 0.029615 1.220788 2.365229
H 1.240755 2.375460 1.095587
H 1.116665 3.033159 -0.559539
H 1.534631 0.862556 -2.144284
H -0.158146 1.405168 -2.259205
H -3.478141 3.523864 1.491749
H 1.477795 -0.258132 3.455275
H 2.885506 -0.037583 0.827351
H 1.696550 -1.684421 -1.003675
H -2.927481 -0.146112 -0.750094
H -1.417586 -1.882262 0.668524
H 3.269463 3.753642 -1.242321
H -1.612907 -0.109015 -3.317745
H -5.922166 3.025018 1.729198
H 2.288137 -2.570606 3.978113
H 5.358524 -0.428407 0.570819
H 1.088707 -4.013779 -1.712278
H -5.382944 -0.652956 -0.524056
H -0.626676 -4.204468 1.194632
H 5.731327 3.368529 -1.512777
H -2.243817 -2.431800 -4.015283
H -6.884996 0.934705 0.718621
H 1.229928 -4.558023 2.856275
H 6.785702 1.275948 -0.603987
H -0.886765 -4.395772 -3.223154


