%chk=000189939.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189939

0 1
O -0.882383 -0.046906 -2.269204
O 0.071634 1.858396 -0.033033
O 2.311405 -1.854629 -0.237011
O -3.494315 -0.357443 1.308363
C -1.266127 -0.673313 0.226289
C -1.476202 0.258221 -0.981152
C 0.261750 -0.590352 0.592673
C -1.305792 1.655045 -0.363119
C 1.087050 -1.125560 -0.583641
C -2.123909 0.066411 1.323855
C 0.651674 0.898540 0.901417
C -2.346703 -0.012537 -2.169378
C -2.182021 1.550918 0.901701
C 2.446472 -0.543491 -0.882336
C -1.736290 -2.099992 -0.004366
C 0.578688 -1.422318 1.841568
C 2.120623 1.206375 0.807294
C 2.959789 0.550579 -0.006422
C 4.416846 0.842854 -0.113126
H -1.521921 2.509093 -1.029404
H 0.520116 -1.596761 -1.397201
H -1.721871 -0.092254 2.342853
H 0.267273 1.176611 1.910697
H -2.830321 -0.975858 -2.305670
H -2.811950 0.804701 -2.714950
H -1.833947 2.230361 1.695091
H -3.232826 1.834642 0.689612
H 2.861669 -0.594129 -1.893073
H -1.541364 -2.743243 0.861574
H -2.812727 -2.136233 -0.220353
H -1.220751 -2.554781 -0.863271
H 1.652237 -1.352879 2.082276
H 0.009349 -1.107025 2.719176
H 0.385385 -2.489184 1.670743
H 2.447392 2.040412 1.425267
H -3.581099 -1.272096 1.640971
H 4.761012 1.569264 0.634898
H 4.667883 1.254612 -1.102095
H 5.014871 -0.071850 0.021687


%chk=000189939-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189939

0 1
O -1.064133 -0.095712 -2.396219
O 0.109658 1.862699 -0.181473
O 2.349116 -1.910131 -0.363414
O -3.523104 -0.366869 1.354582
C -1.272138 -0.679259 0.196275
C -1.544134 0.242949 -1.014203
C 0.283316 -0.578410 0.544611
C -1.326954 1.646276 -0.453002
C 1.124169 -1.062050 -0.664433
C -2.123382 0.090532 1.295652
C 0.653925 0.920402 0.841354
C -2.544968 -0.015782 -2.090562
C -2.177524 1.578697 0.839169
C 2.475713 -0.477198 -0.903250
C -1.725164 -2.137216 0.016110
C 0.640668 -1.421695 1.798278
C 2.144938 1.182243 0.876354
C 3.015662 0.537068 0.052316
C 4.505322 0.790780 0.031993
H -1.601677 2.460918 -1.139819
H 0.570868 -1.417036 -1.539098
H -1.663392 -0.027288 2.295959
H 0.217064 1.190031 1.827348
H -3.074244 -0.973795 -2.136608
H -3.061204 0.833856 -2.555946
H -1.815199 2.285116 1.604305
H -3.231633 1.820800 0.618056
H 2.870928 -0.453148 -1.927347
H -1.620336 -2.712377 0.953817
H -2.782844 -2.183079 -0.294088
H -1.125579 -2.652025 -0.754612
H 1.683817 -1.230800 2.096971
H -0.015921 -1.184178 2.655201
H 0.567846 -2.500615 1.585649
H 2.504544 1.959000 1.562004
H -3.552894 -1.276912 1.745003
H 4.801016 1.555750 0.770063
H 4.834958 1.132551 -0.968712
H 5.063495 -0.139889 0.250918


