%chk=000209578.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209578

0 1
O 0.428745 2.300600 -1.130973
N 3.149433 0.014485 -0.145162
N -0.128192 -0.855438 -1.369263
C 1.370334 1.239423 -1.312800
C 1.931936 0.842804 0.070577
C 0.741586 0.082077 -2.121480
C 4.095570 0.018435 1.012654
C -1.381647 -0.345231 -0.895288
C -1.800276 -0.549525 0.445493
C 5.362114 -0.731960 0.579489
C 3.506874 -0.605149 2.290374
C -3.108240 -0.176306 0.814324
C -2.241109 0.283255 -1.817952
C -0.858691 -1.149295 1.442663
C -3.957098 0.436619 -0.120376
C -3.519502 0.670120 -1.424804
C -3.620748 -0.415114 2.200522
H 2.167181 1.736555 -1.921153
H 1.152723 0.347139 0.698005
H 2.198129 1.783118 0.606922
H 0.163052 0.519303 -2.969483
H 1.554041 -0.524162 -2.585739
H 4.360571 1.089379 1.221038
H 2.884175 -0.943960 -0.388987
H 0.404939 -1.352580 -0.650646
H 6.155145 -0.628957 1.327056
H 5.183708 -1.801774 0.431632
H 5.745989 -0.332259 -0.369306
H 2.642285 -0.043115 2.655717
H 4.248107 -0.614264 3.097733
H 3.193030 -1.641817 2.135637
H -1.912017 0.443801 -2.843068
H -0.405985 1.980838 -0.726319
H 0.158149 -0.723638 1.348006
H -1.167769 -0.965955 2.479974
H -0.792442 -2.239486 1.318540
H -4.962225 0.731132 0.171066
H -4.183389 1.151841 -2.142243
H -3.027802 0.130554 2.947814
H -4.663566 -0.094290 2.324627
H -3.583018 -1.483203 2.458677


%chk=000209578-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209578

0 1
O 0.704220 2.331951 -1.107989
N 3.473669 -0.042569 -0.104391
N -0.225289 -0.424418 -0.359746
C 1.566374 1.141652 -1.215654
C 2.492121 1.057667 0.021213
C 0.721873 -0.136460 -1.447959
C 4.801162 0.159652 0.537769
C -1.602923 -0.119972 -0.375188
C -2.455981 -0.726246 0.609817
C 5.734478 -0.995804 0.122857
C 4.739137 0.303303 2.083993
C -3.846475 -0.427636 0.610417
C -2.152911 0.776131 -1.336097
C -1.839249 -1.677828 1.623669
C -4.378434 0.457597 -0.363867
C -3.534142 1.049617 -1.325977
C -4.790234 -1.046052 1.633197
H 2.187251 1.321207 -2.110650
H 1.858913 1.000484 0.939067
H 3.043364 2.013987 0.076671
H 0.169617 -0.032838 -2.399397
H 1.414332 -0.991984 -1.569933
H 5.206881 1.102464 0.118109
H 3.079729 -0.956817 0.159500
H 0.077460 -1.100282 0.338768
H 6.749757 -0.851342 0.533793
H 5.353302 -1.964373 0.503592
H 5.800394 -1.060151 -0.976772
H 4.047360 1.112196 2.382254
H 5.735993 0.537614 2.502711
H 4.388635 -0.639654 2.547809
H -1.508121 1.267108 -2.070600
H 0.020409 2.155402 -0.409399
H -1.060770 -1.178597 2.238165
H -2.589721 -2.076832 2.322073
H -1.362544 -2.550858 1.129908
H -5.450881 0.682034 -0.359542
H -3.949323 1.740848 -2.068453
H -4.507731 -0.784728 2.671000
H -5.821835 -0.690514 1.471047
H -4.805765 -2.150960 1.567710


