%chk=000226186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226186

0 1
O -0.870878 -0.039503 -0.454712
N -3.949310 1.035893 0.520718
C 0.708358 2.418361 -0.158311
C 0.302536 -2.755090 -0.423293
C 1.249585 1.000699 0.073623
C 1.053006 -1.466357 -0.058597
C 0.485425 -0.172379 -0.121547
C 2.574270 0.842751 0.503604
C 2.382139 -1.563463 0.373722
C 1.857944 3.412985 -0.445959
C -0.029424 2.874557 1.114503
C -0.231120 2.455910 -1.376332
C -0.466057 -3.235159 0.823755
C -0.656350 -2.532509 -1.605185
C 1.286534 -3.869309 -0.853489
C 3.138500 -0.425221 0.677548
C -1.760381 -0.069380 0.709197
C 4.546133 -0.573710 1.161576
C -3.163556 -0.169577 0.099261
C -5.406104 0.721123 0.608848
C -3.719953 2.171732 -0.419697
H 3.183681 1.722023 0.715431
H 2.846652 -2.543994 0.484984
H 1.466273 4.415859 -0.643341
H 2.549986 3.498422 0.398182
H 2.434684 3.106124 -1.324965
H 0.633429 2.868221 1.985000
H -0.427442 3.887259 1.003638
H -0.881936 2.213005 1.344473
H -0.454918 3.480039 -1.684096
H 0.207725 1.932069 -2.231850
H -1.190860 1.951699 -1.159196
H -1.052532 -4.132835 0.608611
H 0.217375 -3.470866 1.645682
H -1.160915 -2.462598 1.186666
H -0.126593 -2.112583 -2.467133
H -1.130578 -3.465116 -1.920443
H -1.453321 -1.819978 -1.355415
H 1.892662 -3.551654 -1.708639
H 0.746146 -4.773321 -1.151429
H 1.969038 -4.152707 -0.045659
H -1.507481 -0.951398 1.330288
H -1.595530 0.865302 1.288495
H 4.614802 -1.295012 1.987226
H 5.201404 -0.934610 0.355833
H 4.970298 0.371013 1.524288
H -3.074531 -0.279954 -1.006983
H -3.660651 -1.093478 0.461947
H -5.560885 -0.046680 1.383603
H -5.864665 0.371916 -0.327430
H -5.945760 1.623605 0.939533
H -4.073844 3.097830 0.059177
H -4.213206 2.072437 -1.396810
H -2.629108 2.286207 -0.601302


%chk=000226186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226186

0 1
O -0.999609 -0.038140 -0.102716
N -3.806386 1.113318 0.503227
C 0.690750 2.461691 -0.059173
C 0.260601 -2.696554 -0.658173
C 1.214912 1.020583 0.230237
C 1.014272 -1.463677 -0.069174
C 0.424420 -0.160698 0.039396
C 2.581956 0.824435 0.555227
C 2.389395 -1.572306 0.261933
C 1.823435 3.519819 0.073684
C -0.465116 2.923502 0.877504
C 0.196926 2.499353 -1.539583
C -0.902889 -3.203688 0.244678
C -0.313261 -2.306365 -2.055964
C 1.217635 -3.903843 -0.872463
C 3.171087 -0.456696 0.632879
C -1.710396 -0.127621 1.205139
C 4.618470 -0.624745 1.064142
C -3.225444 -0.165068 0.978875
C -5.167841 1.358492 1.021319
C -3.744631 1.269428 -0.967054
H 3.217748 1.693548 0.744845
H 2.875864 -2.550815 0.222535
H 1.418594 4.507764 -0.212393
H 2.197233 3.601696 1.111693
H 2.677424 3.303802 -0.593905
H -0.203646 2.767830 1.941488
H -0.637564 4.007553 0.733008
H -1.415145 2.410763 0.662582
H -0.197709 3.504896 -1.781341
H 1.027848 2.277292 -2.234725
H -0.603745 1.760960 -1.705345
H -1.259464 -4.182464 -0.129409
H -0.571797 -3.341916 1.290810
H -1.757706 -2.512003 0.224845
H 0.502049 -2.031226 -2.750343
H -0.861804 -3.164035 -2.490758
H -1.004867 -1.452844 -1.970929
H 2.076298 -3.643098 -1.517512
H 0.657844 -4.715475 -1.372584
H 1.604158 -4.306913 0.082475
H -1.386643 -1.049284 1.726106
H -1.445505 0.742061 1.830681
H 4.697622 -0.736189 2.163617
H 5.076039 -1.522496 0.611529
H 5.231186 0.249764 0.780895
H -3.477998 -1.017376 0.299797
H -3.674398 -0.398108 1.964404
H -5.163553 1.335070 2.125817
H -5.926630 0.618225 0.658816
H -5.503270 2.363007 0.705322
H -4.033998 2.299970 -1.242081
H -4.425977 0.561403 -1.504801
H -2.716075 1.086019 -1.311480


