%chk=000189310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189310

0 1
O 3.797977 2.532481 1.562474
O -2.036039 -0.382397 -1.651329
O -0.675831 1.587272 1.545512
O 2.813170 -2.419798 -2.123410
O 0.660213 -2.126088 -1.640920
N 0.039879 -0.026852 0.051749
C 1.425390 0.228125 0.071123
C 2.301491 -0.614061 -0.691214
C -2.347608 0.182433 0.614746
C 1.972397 1.282403 0.823056
C -0.954297 0.679337 0.787677
C 3.692999 -0.360541 -0.673285
C 3.350729 1.488154 0.807374
C -2.882708 -0.341418 -0.577086
C 4.236534 0.676487 0.061867
C -3.206289 0.283301 1.726648
C -4.213936 -0.783046 -0.669647
C -4.528284 -0.150658 1.652739
C 1.803895 -1.729780 -1.478342
C -5.028493 -0.684823 0.456345
H -0.288739 -0.783890 -0.599977
H 1.334744 1.947712 1.422999
H 4.348355 -1.013700 -1.263412
H 5.304244 0.860584 0.067222
H -2.814316 0.714440 2.654960
H -4.599267 -1.188278 -1.600312
H -5.175694 -0.071478 2.524347
H -6.065031 -1.023621 0.405524
H 4.783280 2.639555 1.518899
H -2.422094 -0.854613 -2.433621
H 2.455426 -3.183140 -2.652606


%chk=000189310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189310

0 1
O 3.841355 2.302227 1.936216
O -1.928721 -1.325488 -1.238661
O -0.655502 1.374917 1.750396
O 2.886730 -2.037330 -2.610150
O 0.660944 -1.834247 -2.023723
N 0.053301 -0.048633 0.012258
C 1.443311 0.205564 0.057220
C 2.336821 -0.489182 -0.851240
C -2.365527 0.111444 0.636295
C 2.003518 1.132974 0.975362
C -0.925394 0.528287 0.838094
C 3.732318 -0.217696 -0.793894
C 3.390423 1.369408 0.995846
C -2.863354 -0.784867 -0.351616
C 4.275899 0.699159 0.111992
C -3.309099 0.678125 1.535027
C -4.238626 -1.104352 -0.434913
C -4.680591 0.370355 1.465229
C 1.858109 -1.471724 -1.831375
C -5.147242 -0.527422 0.475398
H -0.273003 -0.728383 -0.706593
H 1.353300 1.664709 1.669207
H 4.383137 -0.754407 -1.487908
H 5.355451 0.890133 0.135010
H -2.915443 1.367888 2.288256
H -4.592275 -1.797734 -1.208607
H -5.381087 0.822846 2.173914
H -6.211828 -0.776832 0.409524
H 4.823691 2.412491 1.885425
H -2.298310 -1.983016 -1.873585
H 2.469792 -2.685114 -3.238305


