%chk=000111507.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111507

1 1
 O    2.368900      -4.404000      -1.318200    
 O    2.374400       4.088900     -0.8876000    
 O    3.419700       2.129500      -1.384700    
 N    2.368700      -1.313000      0.6494000    
 N    2.362900      0.9050000      0.7670000    
 C    1.767600     -0.1841000      0.3033000    
 C    3.544600      -1.008800       1.477100    
 C    3.536200      0.5219000       1.564500    
 C   0.5569000     -0.1437000     -0.5320000    
 C  -0.7125000     -0.1316000      0.3163000    
 C   -1.984600     -3.3799998E-02 -0.5323000    
 C    1.989300      -2.674500      0.2948000    
 C    1.975400       2.294100      0.5588000    
 C   -3.237500     -5.4000001E-02  0.3471000    
 C   -4.542600      2.8800000E-02 -0.4497000    
 C    2.707000      -3.064900     -0.9816000    
 C   -5.795600     -1.7100001E-02  0.4277000    
 C    2.677900       2.784100     -0.6676000    
 C   -7.064600      0.1419000     -0.4109000    
 C   -8.311700      0.1351000      0.4587000    
 H    3.434800      -1.470600       2.462900    
 H    4.451200      -1.379900      0.9904000    
 H    4.442300      0.9569000       1.132600    
 H    3.412300      0.8666000       2.595500    
 H   0.5753000      0.7396000      -1.180900    
 H   0.5294000     -0.9943000      -1.221500    
 H  -0.7488000      -1.042400      0.9268000    
 H  -0.6808000      0.7076000       1.021500    
 H   -1.964000      0.8901000      -1.122400    
 H   -2.019900     -0.8709000      -1.239700    
 H    2.267300      -3.351100       1.111500    
 H   0.9032000      -2.761800      0.1887000    
 H   0.8935000       2.381500      0.4373000    
 H    2.292900       2.885400       1.423200    
 H   -3.196600      0.7834000       1.054700    
 H   -3.243600     -0.9737000      0.9452000    
 H   -4.577400     -0.7976000      -1.170500    
 H   -4.542000      0.9578000      -1.033500    
 H    2.435500      -2.412600      -1.817400    
 H    3.792600      -3.010500     -0.8555000    
 H   -5.746800      0.7845000       1.174800    
 H   -5.827200     -0.9672000      0.9742000    
 H   -7.025400       1.082600     -0.9724000    
 H   -7.130500     -0.6710000      -1.143500    
 H   -9.206700      0.2482000     -0.1611000    
 H   -8.398400     -0.8053000       1.012400    
 H   -8.291700      0.9583000       1.180000    
 H    1.406600      -4.437400      -1.454300    
 H    2.821300       4.438400      -1.687800    


%chk=000111507-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111507

1 1
O 2.715617 -4.570287 -1.213035
O 2.642780 4.131539 -0.837670
O 3.313683 1.995505 -1.506381
N 2.411931 -1.300416 0.624025
N 2.362614 0.916917 0.904330
C 1.765793 -0.156058 0.315377
C 3.577084 -1.036447 1.528998
C 3.649983 0.516821 1.557486
C 0.505361 -0.080166 -0.494326
C -0.776131 -0.077024 0.400862
C -2.062797 -0.017177 -0.452753
C 2.072037 -2.673821 0.201588
C 2.074272 2.317232 0.611449
C -3.346213 -0.002763 0.408884
C -4.637595 0.044011 -0.440156
C 2.851610 -3.127092 -1.066110
C -5.924172 0.061487 0.415957
C 2.758009 2.764150 -0.695948
C -7.216391 0.104352 -0.431934
C -8.497145 0.121182 0.429566
H 3.369944 -1.470391 2.523159
H 4.492559 -1.496929 1.125225
H 4.498067 0.905847 0.966062
H 3.703867 0.920030 2.581212
H 0.522285 0.826521 -1.124237
H 0.463695 -0.935240 -1.190383
H -0.789744 -0.986438 1.033820
H -0.748658 0.786956 1.094617
H -2.041812 0.887396 -1.094912
H -2.092656 -0.888381 -1.139182
H 2.339628 -3.362583 1.022381
H 0.983057 -2.760818 0.045932
H 0.988168 2.491945 0.523913
H 2.424832 2.953208 1.441452
H -3.325814 0.872915 1.090182
H -3.367967 -0.903395 1.056738
H -4.663394 -0.832776 -1.120208
H -4.619413 0.943167 -1.090574
H 2.511817 -2.568462 -1.961893
H 3.930907 -2.939723 -0.931748
H -5.904912 0.939643 1.094637
H -5.946199 -0.836183 1.068525
H -7.195868 1.001568 -1.083594
H -7.237099 -0.772737 -1.110420
H -9.405065 0.154605 -0.199064
H -8.560960 -0.781648 1.065536
H -8.516609 1.003649 1.096319
H 1.947013 -4.804336 -1.789351
H 3.058804 4.455045 -1.683051


