%chk=000018427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018427

1 1
 O   -3.603600       1.057300      0.5942000    
 O  -2.4999999E-03  -2.255800     -0.8919000    
 N   -2.616800      -1.730400      1.8300001E-02
 N   0.8687000      -1.012800      0.9018000    
 C   -2.586100     -0.5200000     -0.9036000    
 C   -1.420000      -1.683700      0.9574000    
 C   -2.559400      -3.003400     -0.8139000    
 C   -3.901900      -1.714800      0.8335000    
 C   -2.641600      0.7670000     -0.1131000    
 C  -0.1149000      -1.697300      0.1943000    
 C   -1.487700       1.708000     -0.2027000    
 C    2.216500     -0.8052000      0.5233000    
 C  -0.7557000       1.745600      -1.367900    
 C   -1.198800       2.503500      0.8830000    
 C   0.3233000       2.625600      -1.451900    
 C  -0.1199000       3.383600      0.7989000    
 C    2.871600      0.3379000      0.9507000    
 C    2.852100      -1.749400     -0.2658000    
 C   0.6411000       3.444600     -0.3686000    
 C    4.200100      0.5427000      0.5782000    
 C    4.180700      -1.544500     -0.6382000    
 C    4.854600     -0.3985000     -0.2161000    
 H   -1.712800     -0.6120000      -1.546300    
 H   -3.469900     -0.5685000      -1.551800    
 H   -1.515700     -0.8014000       1.598200    
 H   -1.463400      -2.574300       1.595800    
 H   -2.187200      -3.827300     -0.1978000    
 H   -3.580600      -3.232500      -1.139200    
 H   -1.964400      -2.859100      -1.718000    
 H   -4.744700      -1.492000      0.1727000    
 H   -4.030000      -2.711000       1.270900    
 H   -3.822900     -0.9955000       1.651700    
 H   0.5546000     -0.4280000       1.673500    
 H  -0.9967000       1.160500      -2.247800    
 H   -1.778800       2.461300       1.799700    
 H   0.9105000       2.680200      -2.363900    
 H   0.1290000       4.020000       1.643000    
 H    2.370800       1.077000       1.569700    
 H    2.368600      -2.666200     -0.5861000    
 H    1.480700       4.130400     -0.4344000    
 H    4.724900       1.435100      0.9069000    
 H    4.693100      -2.280600      -1.250800    
 H    5.889600     -0.2399000     -0.5047000    


%chk=000018427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018427

1 1
O -1.862489 0.829287 1.446427
O 0.377450 -1.909882 -0.935473
N -2.315036 -1.625111 0.077781
N 1.276129 -1.640645 1.222560
C -2.129135 -0.308655 -0.701254
C -1.131202 -1.939392 1.018321
C -2.472046 -2.756460 -0.952123
C -3.590740 -1.567766 0.928581
C -1.903142 0.940718 0.180054
C 0.249595 -1.816165 0.329309
C -1.742826 2.236132 -0.515754
C 2.691314 -1.609576 0.972408
C -1.732801 2.351330 -1.937536
C -1.594307 3.408004 0.283317
C -1.577382 3.613218 -2.541917
C -1.440879 4.665808 -0.326107
C 3.527864 -1.407137 2.101066
C 3.253086 -1.776180 -0.319083
C -1.432332 4.770962 -1.739196
C 4.926824 -1.372799 1.940809
C 4.657383 -1.740660 -0.460245
C 5.498466 -1.540498 0.657739
H -1.267975 -0.469537 -1.372872
H -3.038042 -0.180065 -1.315419
H -1.222669 -1.244750 1.867872
H -1.286465 -2.978358 1.361829
H -2.662940 -3.695243 -0.409261
H -3.328817 -2.521007 -1.602004
H -1.539910 -2.826091 -1.530032
H -4.448758 -1.397329 0.260093
H -3.709790 -2.532625 1.445448
H -3.497044 -0.750018 1.655432
H 1.020736 -1.514521 2.207381
H -1.833437 1.470395 -2.581265
H -1.604373 3.304543 1.372969
H -1.565787 3.700322 -3.632744
H -1.328468 5.563072 0.290144
H 3.091495 -1.278504 3.100451
H 2.606507 -1.926182 -1.184556
H -1.311821 5.750531 -2.213530
H 5.567941 -1.217313 2.814153
H 5.094893 -1.870571 -1.455519
H 6.585430 -1.515079 0.532947


