%chk=000068836.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068836

0 1
 O    3.147600     -0.8120000      0.7800000    
 O   -2.158300      0.4365000      0.6054000    
 O   -1.553500      0.1058000      -1.611400    
 O    4.633200     -0.3168000     -0.8997000    
 N  -0.1673000       1.271000     -0.1817000    
 N    4.780100      -2.289500      0.3132000    
 N    5.885100      -2.744300     -0.3748000    
 C   0.9060000       1.568600      -1.114300    
 C   0.3128000       1.646800       1.140500    
 C    1.380100       2.943400     -0.6293000    
 C   0.9904000       2.994400      0.8619000    
 C    1.981200      0.4842000     -0.9144000    
 C    1.326800      0.5687000       1.565600    
 C    2.475300      0.4205000      0.5466000    
 C   -1.311800      0.5655000     -0.4971000    
 C    4.229700      -1.071800     -2.0199999E-02
 C   -3.332800     -0.2719000      0.3354000    
 C   -3.332900      -1.635700      0.5118000    
 C   -4.436500      0.4258000     -9.5600002E-02
 C   -4.504600      -2.342700      0.2414000    
 C   -5.608200     -0.2811000     -0.3658000    
 C   -5.642200      -1.665400     -0.1973000    
 H   0.5515000       1.580300      -2.149500    
 H  -0.4972000       1.726300       1.870800    
 H   0.8414000       3.735300      -1.163700    
 H    2.449900       3.110100     -0.7901000    
 H    1.847800       3.186600       1.514500    
 H   0.2746000       3.811500       1.013000    
 H    1.576400     -0.4940000      -1.206400    
 H    2.791500      0.7061000      -1.613800    
 H    1.743800      0.8007000       2.553000    
 H   0.8136000     -0.3963000       1.673900    
 H    3.192000       1.233100      0.7246000    
 H    4.395300      -2.866400       1.053700    
 H   -2.447100      -2.161600      0.8538000    
 H   -4.409300       1.503000     -0.2260000    
 H    5.638100      -3.653100     -0.7642000    
 H    6.611800      -2.923000      0.3170000    
 H   -4.531000      -3.420500      0.3727000    
 H   -6.494100      0.2463000     -0.7074000    
 H   -6.554500      -2.215800     -0.4077000    


%chk=000068836-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068836

0 1
O 3.109570 -1.099751 0.339477
O -2.119138 0.230194 0.346278
O -1.602219 0.597726 -1.955958
O 5.150404 -0.058132 -0.265988
N -0.201298 1.313643 -0.226023
N 4.953100 -2.385148 0.013136
N 6.296898 -2.706049 -0.276044
C 0.943199 1.753116 -1.063625
C 0.295572 1.328414 1.173339
C 1.458725 2.986620 -0.262077
C 1.033002 2.702807 1.224117
C 1.972101 0.585458 -1.098649
C 1.262838 0.120611 1.339884
C 2.429526 0.230352 0.336252
C -1.317201 0.708560 -0.736368
C 4.474392 -1.085764 -0.000886
C -3.411102 -0.341244 0.159865
C -3.842455 -1.140543 1.242691
C -4.247831 -0.102149 -0.954851
C -5.132077 -1.711782 1.213468
C -5.535764 -0.686293 -0.966581
C -5.985575 -1.487532 0.107258
H 0.597409 1.996499 -2.079680
H -0.541720 1.254924 1.881059
H 0.974553 3.905508 -0.632826
H 2.549396 3.111396 -0.376088
H 1.894643 2.671013 1.913888
H 0.344682 3.485707 1.584164
H 1.492890 -0.296296 -1.563487
H 2.850466 0.862017 -1.708979
H 1.658354 0.079653 2.371287
H 0.702784 -0.814716 1.156461
H 3.174136 0.972878 0.678116
H 4.325772 -3.156394 0.240906
H -3.166108 -1.299835 2.088151
H -3.895287 0.499795 -1.793182
H 6.547725 -2.459363 -1.241894
H 6.942985 -2.285411 0.403776
H -5.467444 -2.330544 2.053053
H -6.188983 -0.509272 -1.828323
H -6.986220 -1.932068 0.083286


