%chk=000290273.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290273

0 1
O -0.091128 0.534760 0.219739
O -2.771601 2.538009 2.870120
O -4.075974 0.714608 2.799537
O -7.034845 0.698393 -1.364536
O -6.309246 2.800007 -1.101439
N -0.015060 -1.835897 -2.210919
N -2.246742 -0.067042 0.636170
N 2.797366 -0.918500 -0.822993
N 2.804921 1.766996 -1.803422
N 4.141051 2.438077 0.056095
N 4.797138 0.786980 1.786339
N 4.192659 -1.467034 1.629275
N 5.502757 3.035019 1.881151
C -2.685526 1.322744 0.835626
C -3.734950 1.774146 -0.194875
C -0.119205 -2.437307 -0.905740
C -0.612260 -1.824840 0.262640
C 1.391597 -1.654008 -2.680129
C -4.999867 0.914423 -0.211026
C -0.898079 -0.366401 0.355164
C 0.237079 -3.811216 -0.854826
C 2.155405 -0.580844 -1.937557
C -0.764949 -2.582324 1.441623
C -0.875390 -0.657404 -2.494163
C -3.276215 1.432619 2.246708
C 0.088542 -4.538713 0.316278
C -0.420285 -3.926746 1.474597
C -6.120026 1.623192 -0.910449
C 2.168084 0.787358 -2.424749
C 3.459150 0.079391 -0.147782
C 3.479219 1.445678 -0.613638
C 4.151747 -0.201725 1.104353
C 4.781621 2.064901 1.219375
H -1.779186 2.007549 0.760781
H -3.266601 1.775917 -1.202677
H -4.001698 2.839795 0.000730
H 1.358945 -1.424591 -3.769829
H 1.923277 -2.632204 -2.584960
H -2.946713 -0.796840 0.750582
H -5.333976 0.661873 0.827918
H -4.813513 -0.071432 -0.691661
H 0.613514 -4.295967 -1.756357
H -1.146356 -2.097866 2.343113
H -1.896792 -0.838398 -2.122531
H -0.507206 0.296510 -2.076473
H -0.950112 -0.545177 -3.590134
H 0.361051 -5.594714 0.339989
H -0.540703 -4.505243 2.387888
H 1.636799 1.043845 -3.351447
H -3.129728 2.668551 3.792105
H -7.815537 1.117989 -1.816770
H 4.625889 -1.636332 2.523945
H 3.657087 -2.211286 1.204324
H 5.886359 2.841942 2.792495
H 5.431612 3.996980 1.582521


%chk=000290273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290273

0 1
O -0.627745 0.420630 0.930495
O -4.801451 1.114933 3.712416
O -4.817320 -1.081103 2.952485
O -6.282268 2.051014 -1.568168
O -4.007735 2.421642 -1.843345
N -0.122300 -1.269344 -1.913100
N -2.618019 -0.657480 1.376452
N 2.162262 0.060971 -1.153165
N 4.676172 -0.187601 -2.502987
N 5.711447 1.111846 -0.795545
N 4.361782 1.931615 1.118698
N 2.062839 1.439384 1.278077
N 6.636980 2.392394 0.918875
C -3.188897 0.528883 2.020832
C -3.667508 1.596974 0.987368
C -0.087112 -2.171612 -0.838064
C -0.811021 -1.978493 0.396395
C 0.980742 -1.233826 -2.887155
C -4.807361 1.086278 0.079772
C -1.321700 -0.653993 0.883069
C 0.628208 -3.407846 -0.979933
C 2.264336 -0.623996 -2.314062
C -0.906271 -3.048572 1.333636
C -1.037619 -0.117918 -1.958900
C -4.329471 0.071858 2.922305
C 0.546403 -4.429606 -0.022605
C -0.250154 -4.275017 1.138083
C -4.942288 1.918628 -1.180710
C 3.534496 -0.740784 -2.968724
C 3.299891 0.620366 -0.651573
C 4.582654 0.525379 -1.309689
C 3.243830 1.351169 0.613560
C 5.528672 1.783230 0.381276
H -2.409774 1.011808 2.641018
H -2.790666 1.866221 0.373947
H -3.987954 2.499924 1.536461
H 0.644074 -0.625652 -3.748256
H 1.192804 -2.238295 -3.298949
H -3.173579 -1.518071 1.378650
H -5.780508 1.054564 0.597603
H -4.578901 0.051415 -0.249815
H 1.239413 -3.584807 -1.868071
H -1.453086 -2.878138 2.269106
H -2.005999 -0.386460 -1.502264
H -0.636236 0.768311 -1.433869
H -1.231825 0.142047 -3.014461
H 1.103212 -5.359156 -0.187099
H -0.320947 -5.071643 1.884552
H 3.623168 -1.306778 -3.905777
H -5.555138 0.796431 4.279753
H -6.329820 2.570358 -2.417316
H 2.043956 1.950739 2.159040
H 1.204653 0.979853 0.928071
H 6.548864 2.899538 1.794881
H 7.523214 2.315987 0.426823


