%chk=000056541.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056541

0 1
 O    1.376000     -0.5024000       1.832100    
 O  -0.5562000     -0.7968000     -0.1226000    
 O    1.121500      -1.961700      -1.187800    
 N   -5.289100      6.5700002E-02  0.5905000    
 C    3.074500     -0.8037000      0.2356000    
 C    1.707900     -0.2671000      0.4608000    
 C    3.606100      -1.941800       1.047800    
 C    4.877400      -2.331900      0.2936000    
 C    5.259400      -1.121100     -0.5561000    
 C    3.980700     -0.3581000     -0.6421000    
 C    1.522700       1.220800      0.1962000    
 C   -3.218900      0.4109000     -0.7025000    
 C   -2.900800      -1.045700     -0.4780000    
 C   -4.717300      0.7279000     -0.5869000    
 C   0.7554000      -1.118600     -0.3768000    
 C   -5.185100      -1.397600      0.4663000    
 C   -1.529700      -1.506900     -0.8663000    
 C   -3.821800      -1.872000      4.5499999E-02
 C    1.158100       1.632400      -1.069200    
 C    1.725600       2.111900       1.229800    
 C   -6.678600      0.4687000      0.7976000    
 C   0.9887000       2.995500      -1.311600    
 C    1.555900       3.475000      0.9874000    
 C    1.187500       3.916900     -0.2832000    
 H    3.841200      -1.613700       2.066100    
 H    2.912200      -2.786600       1.095900    
 H    4.670300      -3.190100     -0.3591000    
 H    5.683700      -2.630700      0.9714000    
 H    5.617300      -1.429100      -1.542700    
 H    6.031400     -0.5153000     -7.0799999E-02
 H    3.844200      0.4665000      -1.326100    
 H   -2.662800       1.007800      3.1700000E-02
 H   -2.876100      0.7176000      -1.698000    
 H   -4.831100       1.816100     -0.5082000    
 H   -5.237800      0.4137000      -1.501900    
 H   -5.915800      -1.787600     -0.2543000    
 H   -5.413100      -1.846100       1.440700    
 H   -1.379200      -1.326700      -1.937800    
 H   -1.411700      -2.581700     -0.6813000    
 H   -3.599100      -2.926300      0.1828000    
 H   0.4715000     -0.1797000       1.989700    
 H    1.014200      0.9404000      -1.892800    
 H    2.030300       1.797600       2.223100    
 H   -7.086600     -5.7000001E-03   1.697000    
 H   -7.318000      0.2049000     -5.2600000E-02
 H   -6.745000       1.550800      0.9554000    
 H   0.7060000       3.340200      -2.302000    
 H    1.715100       4.193000       1.786700    
 H    1.057400       4.978300     -0.4725000    


%chk=000056541-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056541

0 1
O 1.597633 -0.773009 2.007355
O -0.468919 -1.614735 0.690706
O 0.537377 -1.473649 -1.413917
N -4.955483 0.555187 0.192054
C 3.018419 -0.799891 0.078565
C 1.632887 -0.417652 0.576587
C 3.517168 -2.239980 0.161229
C 4.847926 -2.204089 -0.652778
C 5.281056 -0.701574 -0.672598
C 3.987808 0.038409 -0.370302
C 1.305906 1.083399 0.368803
C -2.763903 -0.116476 -0.753698
C -2.858233 -1.369286 0.102554
C -4.165134 0.451742 -1.055481
C 0.545587 -1.230654 -0.189024
C -5.206076 -0.760040 0.815484
C -1.682400 -2.309673 0.110794
C -3.984747 -1.650757 0.810903
C 1.070804 1.609754 -0.927157
C 1.275368 1.948984 1.486940
C -6.190270 1.342915 0.042430
C 0.799123 2.985308 -1.096124
C 1.003598 3.325614 1.315054
C 0.762439 3.848689 0.024219
H 3.680108 -2.515532 1.221418
H 2.794604 -2.968037 -0.254339
H 4.654086 -2.540205 -1.687739
H 5.623988 -2.863210 -0.226080
H 5.729325 -0.402660 -1.639046
H 6.038350 -0.481841 0.108920
H 3.882524 1.122865 -0.469947
H -2.163000 0.650575 -0.227514
H -2.232445 -0.341537 -1.699781
H -4.075839 1.463380 -1.491944
H -4.673779 -0.196667 -1.816702
H -6.048529 -1.310923 0.310097
H -5.535716 -0.596613 1.862099
H -1.398497 -2.637851 -0.906586
H -1.842705 -3.177820 0.769764
H -4.048104 -2.566045 1.415610
H 0.656041 -1.010761 2.227420
H 1.103357 0.945405 -1.798075
H 1.474362 1.530551 2.477967
H -6.684597 1.451545 1.025278
H -6.929891 0.884396 -0.663791
H -5.944698 2.354139 -0.327649
H 0.618204 3.382738 -2.101378
H 0.983075 3.987762 2.188205
H 0.550243 4.915704 -0.108307


