%chk=000298032.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298032

0 1
O -1.111792 1.860685 -1.787600
O 1.385033 0.981522 0.151756
O 0.057428 2.621343 1.272227
O -2.931408 2.194535 -0.358529
O -2.023954 -1.008941 -0.933449
O 2.045208 -0.988350 -0.793108
O -3.892589 -0.514524 -2.117344
N 3.608956 0.525805 0.112312
C -0.001150 0.599475 -0.054330
C -0.838753 1.718387 0.615983
C -0.358458 0.642765 -1.558492
C -1.540547 2.453990 -0.558393
C -1.168728 -0.568182 -2.025520
C 2.344299 0.045178 -0.227243
C -0.540937 3.314880 2.389392
C -3.778125 2.512473 -1.487261
C -3.390006 -0.860791 -1.076542
C 4.805794 -0.247178 -0.105461
C 3.713654 1.835364 0.811088
C -4.038575 -1.222408 0.213877
C 4.832428 -1.262529 -1.081030
C 5.959795 0.032794 0.652036
C -4.370728 -2.555515 0.483271
C -4.327177 -0.206843 1.134721
C 6.009424 -1.979005 -1.295828
C 7.129020 -0.694223 0.416514
C 7.162203 -1.698049 -0.554661
C -5.008206 -2.870988 1.686998
C -4.965069 -0.532714 2.334181
C -5.305425 -1.861975 2.609344
H -0.165279 -0.402236 0.401463
H -1.582154 1.288485 1.323740
H 0.545563 0.774034 -2.200369
H -1.348058 3.535255 -0.663710
H -1.777008 -0.327971 -2.920745
H -0.518232 -1.445675 -2.209930
H 0.271404 3.979908 2.708786
H -0.798683 2.608368 3.183724
H -1.413034 3.891660 2.068512
H -3.681331 3.567366 -1.750631
H -3.515619 1.858359 -2.331232
H -4.780748 2.278670 -1.113362
H 4.523952 2.438526 0.369241
H 3.900236 1.694664 1.888621
H 2.768750 2.413491 0.710421
H 3.937260 -1.503810 -1.662244
H 5.957697 0.796760 1.424769
H -4.134750 -3.338730 -0.237164
H -4.054085 0.830267 0.908137
H 6.026622 -2.765370 -2.050963
H 8.021713 -0.475040 1.002072
H 8.076235 -2.259692 -0.731278
H -5.272538 -3.904840 1.905180
H -5.198679 0.249989 3.054237
H -5.803645 -2.112317 3.545516


%chk=000298032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298032

0 1
O -0.864595 1.617138 -1.562388
O 1.620625 0.889212 0.120665
O -0.009746 1.895688 1.962916
O -2.586362 2.440882 -0.062661
O -2.348424 -0.799533 -0.655754
O 2.440906 -1.184054 -0.577294
O -3.218300 -2.781131 -1.521076
N 3.900205 0.594515 0.046250
C 0.269175 0.291192 0.101832
C -0.673611 1.263363 0.837472
C -0.271197 0.266684 -1.348679
C -1.164677 2.241622 -0.260905
C -1.257005 -0.857063 -1.657169
C 2.666540 -0.010659 -0.171871
C -0.962782 2.499402 2.906116
C -3.183387 3.363075 -1.043409
C -3.320346 -1.807508 -0.735578
C 5.144647 -0.028536 -0.337648
C 3.949434 1.956360 0.637771
C -4.442297 -1.563418 0.214481
C 5.268508 -1.432297 -0.539478
C 6.297370 0.790624 -0.495760
C -5.352274 -2.624715 0.459456
C -4.624703 -0.304725 0.847356
C 6.518135 -1.985496 -0.888819
C 7.540662 0.220837 -0.842733
C 7.663477 -1.171641 -1.041334
C -6.431008 -2.435880 1.347006
C -5.711363 -0.122503 1.729445
C -6.610822 -1.184925 1.985511
H 0.308809 -0.710726 0.558226
H -1.559972 0.686412 1.169979
H 0.564767 0.175171 -2.063536
H -0.635592 3.217512 -0.248092
H -1.690154 -0.725599 -2.664305
H -0.755728 -1.841200 -1.607995
H -0.351176 2.898945 3.729879
H -1.669489 1.739002 3.298337
H -1.544091 3.315631 2.434643
H -2.690595 4.356377 -1.001841
H -3.095769 2.950498 -2.063900
H -4.242991 3.460518 -0.762120
H 4.090795 2.730295 -0.139466
H 4.784283 2.005369 1.356501
H 3.003827 2.155338 1.157958
H 4.392807 -2.073321 -0.437143
H 6.233282 1.874320 -0.367909
H -5.196945 -3.580393 -0.052373
H -3.937843 0.519300 0.624035
H 6.591979 -3.068626 -1.038085
H 8.412306 0.874043 -0.962601
H 8.629128 -1.612556 -1.310355
H -7.130087 -3.256530 1.540705
H -5.859990 0.848882 2.213851
H -7.451144 -1.038067 2.673584


