%chk=000236028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236028

0 1
O 1.928850 -0.261919 -0.947175
O -1.939404 -0.260153 0.957115
O 1.420817 -1.620866 0.798478
O -1.425923 -1.636481 -0.773260
N 3.814720 0.796674 1.677715
N -3.830069 0.760354 -1.679262
C 0.563758 1.200942 0.502971
C -0.580854 1.192601 -0.509395
C 1.933939 0.971060 -0.159074
C -1.949988 0.963990 0.155217
C 2.324818 2.014084 -1.200511
C -2.345548 2.016725 1.185027
C 2.986711 0.865071 0.878649
C -3.002316 0.841542 -0.881128
C 1.608551 -1.487904 -0.388250
C -1.613777 -1.490798 0.411994
C 1.520168 -2.488001 -1.479197
C -1.520896 -2.478391 1.513942
H 0.582220 2.156130 1.064478
H 0.391787 0.406709 1.271189
H -0.603634 2.141285 -1.081685
H -0.405189 0.390539 -1.268614
H 1.638996 1.990941 -2.059457
H 3.329803 1.821058 -1.605301
H 2.318421 3.027875 -0.783320
H -1.659863 2.005915 2.044335
H -2.343293 3.025891 0.756718
H -3.349818 1.823954 1.591707
H 2.024277 -2.163765 -2.403350
H 0.451191 -2.655111 -1.738049
H 1.942053 -3.457260 -1.174562
H -2.025973 -2.146025 2.434652
H -0.451161 -2.638306 1.774115
H -1.938972 -3.452658 1.220188


%chk=000236028-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236028

0 1
O 1.948524 -0.262168 -1.043680
O -1.959379 -0.258346 1.053191
O 1.541505 -1.662631 0.788313
O -1.541981 -1.676545 -0.762735
N 3.889409 0.864593 1.658909
N -3.908051 0.824568 -1.658240
C 0.578882 1.213596 0.499037
C -0.595972 1.206785 -0.505079
C 1.957476 0.984364 -0.189875
C -1.973798 0.978656 0.185776
C 2.328842 2.092594 -1.197934
C -2.350770 2.096194 1.181363
C 3.022155 0.873247 0.840640
C -3.037410 0.851257 -0.843965
C 1.709551 -1.515867 -0.442286
C -1.712853 -1.517255 0.465920
C 1.646681 -2.594044 -1.494705
C -1.646585 -2.583664 1.530082
H 0.641743 2.183162 1.027386
H 0.436685 0.430973 1.261388
H -0.662452 2.171219 -1.042300
H -0.450677 0.417800 -1.260263
H 1.581298 2.125249 -2.006888
H 3.315706 1.890415 -1.643582
H 2.360436 3.072502 -0.691969
H -1.603298 2.141979 1.989758
H -2.387619 3.070139 0.664363
H -3.336498 1.893884 1.629467
H 2.228923 -2.320564 -2.386992
H 0.587548 -2.722599 -1.787779
H 2.006318 -3.545192 -1.072741
H -2.229108 -2.301981 2.419616
H -0.586947 -2.706241 1.823906
H -2.003881 -3.540375 1.118795


