%chk=000041811.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041811

0 1
 O    3.290000     -0.1650000       1.010400    
 O    3.779900      0.4368000      -1.195400    
 N   -3.920900      2.8000001E-02  0.2035000    
 C   -1.509000      6.1299998E-02 -7.3100001E-02
 C   -3.325400       1.083500       1.046800    
 C   -2.798800     -0.7811000     -0.3454000    
 C   -1.901300      0.6162000       1.308900    
 C   -1.352600       1.273500      -1.047400    
 C   -3.276300       2.386600      0.2329000    
 C   -2.563300       2.216300      -1.111700    
 C  -0.1909000     -0.7155000      2.1600001E-02
 C   -3.081900      -1.137100      -1.805800    
 C   -4.867500     -0.7961000      0.9504000    
 C   0.9647000     -7.9099998E-02  0.4779000    
 C  -0.1438000      -2.060800     -0.3478000    
 C    2.164100     -0.7862000      0.5646000    
 C    1.055400      -2.767800     -0.2610000    
 C    2.209300      -2.130600      0.1952000    
 C    4.057100      0.4395000     -3.7000000E-03
 C    5.274500       1.093100      0.6103000    
 C    6.136700       1.784400     -0.4311000    
 H   -3.869600       1.260800       1.981600    
 H   -2.734600      -1.715900      0.2291000    
 H   -1.252000       1.428400       1.655200    
 H   -1.885000     -0.1711000       2.075200    
 H   -1.112900      0.9214000      -2.058800    
 H  -0.4949000       1.886000     -0.7402000    
 H   -2.752800       3.153400      0.8182000    
 H   -4.290800       2.765500      5.8499999E-02
 H   -3.282600       1.837300      -1.845900    
 H   -2.251000       3.195900      -1.492900    
 H   -2.219500      -1.605200      -2.287600    
 H   -3.918400      -1.842200      -1.869300    
 H   -3.354700     -0.2667000      -2.408000    
 H   -4.406500      -1.276700       1.820800    
 H   -5.291300      -1.575500      0.3080000    
 H   -5.707200     -0.1855000       1.300400    
 H   0.9487000      0.9654000      0.7774000    
 H   -1.007100      -2.608000     -0.7056000    
 H    1.091300      -3.814800     -0.5477000    
 H    3.139900      -2.687700      0.2612000    
 H    5.862500      0.3203000       1.116100    
 H    4.936200       1.828100       1.348000    
 H    5.573200       2.565200     -0.9526000    
 H    7.007500       2.248600      4.1900001E-02
 H    6.494000       1.071700      -1.181900    


%chk=000041811-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041811

0 1
O 3.557094 -0.557705 0.112628
O 3.108163 1.756146 0.219492
N -3.817404 0.174272 0.386286
C -1.470575 -0.024806 -0.213167
C -3.047327 1.334250 0.959975
C -2.833440 -0.808613 -0.188059
C -1.610689 0.784525 1.117573
C -1.399850 1.011240 -1.390631
C -3.033209 2.512684 -0.047225
C -2.602197 1.995484 -1.443049
C -0.218486 -0.914869 -0.210025
C -3.330905 -1.394823 -1.523784
C -4.824468 -0.430724 1.272172
C 1.049750 -0.284826 -0.058626
C -0.260203 -2.327308 -0.328263
C 2.224098 -1.065036 -0.036160
C 0.928487 -3.094268 -0.301480
C 2.181740 -2.471731 -0.157594
C 3.913519 0.802212 0.224406
C 5.426582 0.896906 0.350079
C 5.924404 2.346470 0.481829
H -3.490810 1.646907 1.924125
H -2.704791 -1.651248 0.537873
H -0.850310 1.578717 1.216591
H -1.524769 0.108241 1.989241
H -1.318136 0.471510 -2.354201
H -0.459087 1.584114 -1.277174
H -2.340542 3.295395 0.324042
H -4.040328 2.965384 -0.117506
H -3.474737 1.481754 -1.883270
H -2.353079 2.843106 -2.110550
H -2.591172 -2.080520 -1.974966
H -4.267347 -1.961917 -1.368150
H -3.546728 -0.593893 -2.249441
H -4.392920 -0.915928 2.185449
H -5.390695 -1.204310 0.720884
H -5.549309 0.335932 1.598860
H 1.123571 0.797858 0.046473
H -1.215714 -2.845962 -0.438079
H 0.874775 -4.184479 -0.394429
H 3.115262 -3.041246 -0.134967
H 5.870065 0.397426 -0.532692
H 5.731814 0.285142 1.220728
H 5.492416 2.835308 1.371673
H 7.024705 2.364836 0.571743
H 5.635183 2.946994 -0.397435


