%chk=000206067.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206067

0 1
O 5.171614 0.549670 0.678837
O 3.653602 2.112717 0.188273
N -0.022730 -0.594792 -0.258869
C 1.034892 0.219619 -0.712817
C 2.213096 -0.525066 -0.579363
C 0.500607 -1.838743 0.166877
C -1.406038 -0.203132 -0.174424
C 1.876553 -1.803846 -0.030960
C -1.867124 0.566968 0.919839
C 3.580063 -0.080468 -0.948062
C 0.848583 1.592357 -1.221088
C -2.284622 -0.601925 -1.192349
C -0.357462 -2.915614 0.702429
C -3.220593 0.922561 0.960618
C -4.105041 0.525660 -0.054740
C -3.629878 -0.239417 -1.131264
C -0.934123 0.990102 2.002293
C 4.060934 0.990964 -0.009046
C -5.542873 0.923298 0.020015
H 2.571313 -2.587840 0.185923
H 3.593083 0.321820 -1.987449
H 4.285632 -0.944347 -0.941676
H -0.137570 2.013610 -0.983702
H 1.609523 2.270792 -0.785496
H 0.967090 1.633294 -2.313807
H -1.911531 -1.193297 -2.029751
H 0.246489 -3.737437 1.113708
H -1.014839 -2.556264 1.508432
H -1.004059 -3.343683 -0.078669
H -3.592936 1.516611 1.793769
H -4.308125 -0.550645 -1.922903
H -0.439055 0.122434 2.467158
H -0.123638 1.625269 1.605882
H -1.428741 1.553957 2.802035
H -5.653899 2.017716 0.007721
H -6.138562 0.531191 -0.814582
H -6.010799 0.561057 0.947042
H 5.520963 1.220953 1.321365


%chk=000206067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206067

0 1
O 5.000699 0.276176 0.940299
O 3.997033 2.186798 0.085937
N 0.009451 -0.573559 -0.268824
C 1.042329 0.240680 -0.779222
C 2.242220 -0.474264 -0.626366
C 0.546473 -1.786511 0.214113
C -1.383233 -0.196880 -0.195828
C 1.927555 -1.734919 -0.000754
C -1.867658 0.520263 0.935614
C 3.625237 0.002710 -1.032816
C 0.775459 1.600321 -1.361164
C -2.254613 -0.551444 -1.247501
C -0.313883 -2.862347 0.814123
C -3.240913 0.860902 0.965655
C -4.133468 0.517025 -0.083176
C -3.620874 -0.198541 -1.193254
C -0.937683 0.905669 2.070605
C 4.199579 0.953689 0.007054
C -5.597422 0.916779 -0.013359
H 2.637142 -2.519439 0.260242
H 3.591070 0.548007 -1.992131
H 4.303452 -0.858724 -1.142768
H 0.285903 2.276938 -0.634254
H 1.726162 2.076792 -1.649595
H 0.119207 1.553471 -2.251650
H -1.852127 -1.104399 -2.103163
H 0.322631 -3.702033 1.139069
H -0.880928 -2.507138 1.696721
H -1.055745 -3.259056 0.094386
H -3.627178 1.411050 1.833594
H -4.289542 -0.479412 -2.015155
H -0.364692 0.035234 2.438442
H -0.188182 1.650332 1.742412
H -1.499145 1.337747 2.916146
H -5.716212 2.014226 -0.093511
H -6.181651 0.457529 -0.828882
H -6.054221 0.610830 0.945890
H 5.307569 0.921601 1.634268


