%chk=000189809.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189809

0 1
O 3.266087 -1.117435 0.022120
O -3.178905 -0.483988 -0.386373
O 1.706690 -0.858075 -1.490438
O -1.711482 0.176609 -1.954194
O 2.033480 0.844866 0.022197
O -0.856869 -1.266845 -0.398011
O -3.869770 0.702227 -2.253402
C 5.297681 0.108209 0.628916
C -4.743154 0.718357 1.063711
C 4.086522 -0.671552 1.165215
C -4.524381 -0.540998 0.209752
C 6.552303 -0.276720 1.418313
C 5.050651 1.616293 0.688391
C -5.486432 1.797550 0.275162
C -5.501514 0.349674 2.342255
C 0.594831 -0.119781 -2.081401
C 2.318465 -0.248080 -0.408052
C 0.563481 -0.592280 -3.518035
C -0.669007 -0.535738 -1.315883
C -3.043740 0.170526 -1.564213
H 5.443376 -0.191002 -0.442980
H -3.731505 1.112303 1.348626
H 4.349445 -1.656483 1.595190
H 3.461509 -0.097520 1.868867
H -4.423810 -1.465790 0.809291
H -5.273294 -0.675794 -0.586618
H 6.449054 -0.057567 2.487020
H 7.425246 0.283853 1.060963
H 6.789055 -1.341585 1.314394
H 5.024772 1.989647 1.718314
H 4.088120 1.886649 0.228118
H 5.834358 2.170768 0.161402
H -6.523327 1.513797 0.063650
H -5.005309 1.995812 -0.694231
H -5.514484 2.744717 0.824768
H -6.480326 -0.092928 2.126831
H -5.681582 1.238983 2.959073
H -4.938752 -0.360648 2.958624
H 0.758681 0.982032 -1.970266
H 0.593017 -1.690965 -3.587898
H 1.431901 -0.218778 -4.079467
H -0.348982 -0.243318 -4.029201


%chk=000189809-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189809

0 1
O 3.394161 -0.990486 -0.402401
O -2.965603 -0.194214 -0.108367
O 1.842748 -0.619508 -1.951507
O -1.787441 0.016097 -2.047428
O 1.661355 0.527928 0.091877
O -0.578599 -1.696799 -0.961576
O -4.049265 -0.543906 -2.166027
C 5.391312 -0.059367 0.752315
C -4.658001 0.770140 1.437882
C 4.037702 -0.767871 0.931103
C -4.200473 -0.494924 0.694463
C 6.098826 0.009085 2.127920
C 5.221972 1.344375 0.129866
C -5.053937 1.896929 0.458330
C -5.831110 0.387927 2.374296
C 0.573921 0.002160 -2.384023
C 2.247163 -0.283601 -0.659020
C 0.507510 -0.163905 -3.908112
C -0.598600 -0.689319 -1.672564
C -3.057210 -0.300479 -1.467612
H 6.007360 -0.677834 0.069099
H -3.810074 1.120654 2.059625
H 4.165368 -1.781347 1.347593
H 3.350986 -0.176466 1.564152
H -3.884547 -1.288467 1.392054
H -4.981398 -0.871353 0.008500
H 5.512539 0.613789 2.846098
H 7.092426 0.480918 2.025874
H 6.245109 -0.996450 2.564910
H 4.580778 1.983744 0.765544
H 4.762478 1.286273 -0.872929
H 6.202813 1.841726 0.021216
H -5.879061 1.574415 -0.204604
H -4.201484 2.197668 -0.176093
H -5.391299 2.790641 1.013611
H -6.701317 0.025716 1.794148
H -6.159059 1.268053 2.955310
H -5.542823 -0.402997 3.091708
H 0.560425 1.067434 -2.088563
H 0.552061 -1.230631 -4.183905
H 1.364151 0.353727 -4.369872
H -0.429764 0.269526 -4.292388


