%chk=000202727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202727

0 1
O -2.712366 1.972388 0.000076
N -1.024908 0.296795 0.000042
N 0.740178 2.453080 0.000146
N -0.522610 2.700283 0.000146
C 0.317041 0.070136 0.000015
C 1.224341 1.168132 0.000080
C 0.774445 -1.339887 -0.000062
C 2.691238 0.989017 0.000101
C 0.991193 -1.999605 1.217823
C 0.990125 -1.999821 -1.218018
C 3.382324 0.902273 -1.217342
C 3.382486 0.903864 1.217561
C -1.410750 1.613793 0.000139
C 1.434333 -3.325119 1.211949
C 1.433276 -3.325334 -1.212297
C 4.767950 0.720611 -1.211524
C 4.768114 0.722191 1.211793
C 1.656489 -3.987016 -0.000213
C 5.460773 0.628435 0.000150
C -3.689929 0.927986 -0.000047
C -4.187149 0.501011 1.231968
C -4.186865 0.501002 -1.232172
C -5.257040 -0.399370 1.216130
C -5.256761 -0.399381 -1.216573
C -5.787852 -0.845877 -0.000281
H 0.812145 -1.484332 2.160244
H 0.810229 -1.484724 -2.160373
H 2.843110 0.984326 -2.159097
H 2.843402 0.987172 2.159281
H 1.605473 -3.842901 2.154796
H 1.603590 -3.843281 -2.155202
H 5.309059 0.654082 -2.154225
H 5.309346 0.656895 2.154509
H 2.002592 -5.019700 -0.000272
H 6.540127 0.487358 0.000167
H -3.755096 0.861913 2.162569
H -3.754601 0.861893 -2.162678
H -5.675953 -0.755458 2.157163
H -5.675456 -0.755475 -2.157699
H -6.619846 -1.548956 -0.000372


%chk=000202727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202727

0 1
O -2.593831 1.833821 0.197339
N -0.897958 0.162524 0.199112
N 0.824518 2.193876 0.946485
N -0.514075 2.419220 1.001283
C 0.440360 -0.118836 0.305403
C 1.341740 0.987517 0.499764
C 0.802546 -1.558277 0.295311
C 2.806917 0.984654 0.265451
C 1.922449 -2.058164 1.016008
C -0.035190 -2.473637 -0.400903
C 3.380956 0.221673 -0.788457
C 3.649512 1.814394 1.054600
C -1.302634 1.420025 0.451616
C 2.200817 -3.440127 1.027762
C 0.254581 -3.853045 -0.397455
C 4.768585 0.275744 -1.034137
C 5.037481 1.861333 0.809195
C 1.374466 -4.342268 0.316038
C 5.603745 1.090737 -0.233640
C -3.638793 0.933491 -0.191032
C -3.855899 -0.314218 0.431979
C -4.523686 1.443713 -1.161803
C -4.989622 -1.066585 0.051605
C -5.651837 0.677862 -1.530661
C -5.887246 -0.579417 -0.927487
H 2.563698 -1.372717 1.578161
H -0.907664 -2.084108 -0.934805
H 2.742194 -0.403028 -1.421461
H 3.197325 2.420490 1.845340
H 3.059937 -3.813995 1.595113
H -0.391534 -4.545948 -0.947305
H 5.197174 -0.311911 -1.853375
H 5.676830 2.500114 1.428374
H 1.599015 -5.414659 0.321466
H 6.681988 1.128782 -0.424604
H -3.157763 -0.693824 1.180828
H -4.323832 2.424368 -1.603358
H -5.171215 -2.036132 0.528127
H -6.344615 1.066489 -2.284677
H -6.763240 -1.171532 -1.212798


