%chk=000041773.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041773

0 1
 O   -1.416300      -2.132300      0.4961000    
 O  -2.2500001E-02  0.1516000      -2.154400    
 N    2.296100     -0.1959000     -0.2369000    
 N    4.844900      0.7853000      0.7118000    
 C   0.9194000     -0.6453000     -3.9700001E-02
 C  -5.5700000E-02  0.3202000     -0.7386000    
 C    2.460100       1.193200      0.2090000    
 C    3.237500      -1.075000      0.4674000    
 C   0.7927000      -2.098200     -0.5177000    
 C    3.904300       1.664800      6.8999999E-03
 C    4.681400     -0.6031000      0.2640000    
 C   -1.500700      0.2020000     -0.2898000    
 C  -0.6518000      -2.567700     -0.6259000    
 C   -2.075200     -0.9469000      0.2832000    
 C    6.221700       1.235000      0.5167000    
 C   -2.320300       1.336600     -0.4520000    
 C   -3.402100     -0.9291000      0.7345000    
 C   -3.649500       1.340700     -2.6200000E-02
 C   -4.188100      0.2093000      0.5752000    
 C   -4.474200       2.567000     -0.2380000    
 C   -5.601800      0.1879000       1.054500    
 H   0.7014000     -0.6211000       1.039000    
 H   0.1678000       1.364900     -0.5337000    
 H    2.168000       1.316200       1.260300    
 H    1.895200       1.906800     -0.3925000    
 H    3.214100      -2.096400      7.5099997E-02
 H    3.010800      -1.121600       1.541100    
 H    1.270200      -2.762700      0.2131000    
 H    1.289800      -2.260900      -1.482200    
 H    4.135400       1.702900      -1.066700    
 H    3.992600       2.686700      0.3960000    
 H    5.343800      -1.258500      0.8427000    
 H    4.959800     -0.7087000     -0.7936000    
 H   -1.111600      -2.260000      -1.574600    
 H  -0.6727000      -3.663800     -0.6290000    
 H    6.916100      0.6028000       1.081000    
 H    6.349500       2.255800      0.8936000    
 H    6.518700       1.217200     -0.5381000    
 H   -1.905300       2.231100     -0.9139000    
 H   0.8987000      0.2802000      -2.438500    
 H   -3.818200      -1.821100       1.198400    
 H   -5.332400       2.347800     -0.8816000    
 H   -4.828800       2.963400      0.7189000    
 H   -3.901300       3.364200     -0.7246000    
 H   -6.293900      0.3449000      0.2208000    
 H   -5.861200     -0.7726000       1.513500    
 H   -5.764000      0.9611000       1.812500    


%chk=000041773-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000041773

0 1
O -1.608374 -2.277329 0.479573
O 0.123078 -0.227801 -2.181852
N 2.269714 -0.184437 -0.066733
N 4.938416 0.804487 0.594807
C 0.877935 -0.733104 0.127523
C -0.076508 0.125259 -0.754111
C 2.480855 1.065603 0.723669
C 3.396453 -1.112535 0.240857
C 0.801855 -2.235083 -0.243129
C 3.812464 1.732532 0.347831
C 4.736397 -0.461194 -0.144459
C -1.550857 0.073309 -0.378720
C -0.625865 -2.712482 -0.540026
C -2.206100 -1.021373 0.247486
C 6.250995 1.418683 0.323115
C -2.316354 1.254906 -0.566844
C -3.542624 -0.899838 0.694758
C -3.657192 1.391912 -0.151228
C -4.279176 0.288166 0.513511
C -4.413737 2.685923 -0.393448
C -5.713076 0.381397 1.003095
H 0.562103 -0.621134 1.192714
H 0.227950 1.185051 -0.635013
H 2.487037 0.839299 1.817936
H 1.657167 1.774408 0.531376
H 3.284323 -2.044131 -0.335757
H 3.425426 -1.374101 1.327033
H 1.244492 -2.835606 0.572217
H 1.388621 -2.424823 -1.163323
H 3.766581 2.053367 -0.725285
H 3.957144 2.637273 0.968222
H 5.562345 -1.153653 0.106167
H 4.746396 -0.298630 -1.253951
H -0.950702 -2.339649 -1.528674
H -0.675810 -3.814556 -0.518623
H 7.056066 0.709363 0.587118
H 6.374722 2.322569 0.946560
H 6.388955 1.715698 -0.748026
H -1.826388 2.106780 -1.056421
H 1.108291 -0.152043 -2.319169
H -3.998154 -1.771687 1.176041
H -5.313595 2.522323 -1.018055
H -4.764098 3.141545 0.553283
H -3.779921 3.427491 -0.909195
H -6.412587 0.593674 0.171479
H -6.034385 -0.557335 1.484728
H -5.837879 1.200206 1.738042


