%chk=000072437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072437

0 1
 O    1.681000      -2.552500     -0.8597000    
 O   -1.367400      -2.588400      0.7617000    
 O   0.3966000     -0.2312000      -1.702700    
 O  -0.9721000     -0.3666000       2.391700    
 N    5.173100       2.594300      0.8410000    
 N   -4.828500       2.375300      -1.465700    
 N    3.345000       3.574000     -0.2358000    
 N   -3.780500       3.305900      0.4043000    
 C   0.1751000      -4.237900     -2.8500000E-02
 C    1.377000      -3.356200      0.2723000    
 C   -1.064900      -3.420100     -0.3498000    
 C    2.229700      -1.320800     -0.6140000    
 C   -1.999200      -1.402000      0.4929000    
 C    1.583700     -0.1596000      -1.038500    
 C   -1.799500     -0.2909000       1.312100    
 C    3.444600      -1.234200      6.5700002E-02
 C   -2.848500      -1.311700     -0.6100000    
 C    3.367900       1.174600     -0.1036000    
 C   -3.298300       1.000900     -7.4400000E-02
 C    2.152800       1.088100     -0.7831000    
 C   -2.448900      0.9106000       1.028400    
 C    4.013900      1.3400000E-02  0.3208000    
 C   -3.498200     -0.1103000     -0.8935000    
 C    3.961000       2.475400      0.1636000    
 C   -3.974900       2.253700     -0.3708000    
 C  -0.1981000       1.002100      -2.102200    
 C  -0.8224000      0.8141000       3.177700    
 H   0.3970000      -4.889100     -0.8817000    
 H  -1.7600000E-02  -4.874200      0.8430000    
 H    2.243600      -3.991400      0.4889000    
 H    1.182600      -2.739800       1.159600    
 H  -0.8741000      -2.843700      -1.263700    
 H   -1.908100      -4.097500     -0.5283000    
 H    3.962400      -2.131100      0.3949000    
 H   -3.055500      -2.159300      -1.256400    
 H    1.680700       2.011600      -1.096700    
 H   -2.317500       1.794900       1.640800    
 H    4.959800      2.3499999E-02  0.8509000    
 H   -4.151500     -9.5899999E-02  -1.758900    
 H  -0.4575000       1.627800      -1.242500    
 H   0.4295000       1.533800      -2.826000    
 H   -1.131100      0.7593000      -2.620100    
 H  -0.3618000       1.625500       2.603700    
 H   -1.767600       1.113000       3.643600    
 H  -0.1313000      0.5719000       3.992000    
 H    5.570200       3.511100       1.019100    
 H    5.709700       1.806200       1.181200    
 H   -5.289900       3.258600      -1.657100    
 H   -5.030600       1.621800      -2.110700    
 H    3.913000       4.381400      4.3900002E-02
 H   -4.336600       4.085100      3.4899998E-02


%chk=000072437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072437

0 1
O 1.654519 -1.779813 -0.876501
O -1.584367 -1.850848 0.760876
O 2.259652 -0.390780 -3.052573
O -2.215300 -0.613775 3.019088
N 6.329377 2.544840 0.545524
N -6.896874 1.821693 -0.196689
N 6.366202 2.473934 -1.872272
N -6.030581 2.642363 1.906049
C 0.045825 -3.389077 -0.105186
C 1.246933 -2.542395 0.321327
C -1.165344 -2.532970 -0.481107
C 2.700969 -0.866475 -0.742774
C -2.657561 -0.962538 0.687048
C 3.032804 -0.114097 -1.918465
C -3.007595 -0.296731 1.908818
C 3.438194 -0.652882 0.441526
C -3.395009 -0.683580 -0.483509
C 4.806887 1.050753 -0.674542
C -4.834679 0.874566 0.750203
C 4.074033 0.827794 -1.870793
C -4.084253 0.605172 1.926055
C 4.484636 0.297909 0.476632
C -4.475014 0.229121 -0.453936
C 5.895588 2.079481 -0.702148
C -5.971433 1.844887 0.853858
C 2.585433 0.358751 -4.269598
C -2.536534 0.072219 4.274196
H 0.328403 -4.010992 -0.974935
H -0.229037 -4.064697 0.726104
H 2.086899 -3.183442 0.657114
H 0.961266 -1.846094 1.133376
H -0.886749 -1.784648 -1.247996
H -1.997285 -3.161802 -0.857569
H 3.208722 -1.229638 1.341637
H -3.124618 -1.162539 -1.428512
H 4.371349 1.415283 -2.743633
H -4.380770 1.145197 2.829295
H 5.065632 0.398287 1.400140
H -4.987447 0.456009 -1.395470
H 2.448733 1.447268 -4.119646
H 3.624273 0.161580 -4.597470
H 1.877123 -0.007039 -5.027464
H -2.441396 1.170041 4.167829
H -3.559750 -0.175207 4.617469
H -1.798366 -0.300619 4.999448
H 7.099546 3.207250 0.603253
H 5.815474 2.334896 1.397702
H -7.664552 2.489147 -0.214295
H -6.888785 1.084942 -0.897571
H 7.092785 3.215311 -1.795830
H -6.870160 3.257482 1.910217


