%chk=000048318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048318

1 1
 O   -2.019300       1.130400     -0.9526000    
 O   -3.782200       1.211000      0.5437000    
 N   0.9644000     -1.3800000E-02  0.4945000    
 N   2.4300000E-02   2.952800       1.465300    
 N   -3.823800     -0.3771000      -1.154900    
 C    2.182800      0.8560000      0.7685000    
 C    1.224300      -1.425100       1.001400    
 C  -0.2455000      0.5681000       1.211100    
 C   0.6963000     -5.4200001E-02  -1.003100    
 C    3.427000      0.3535000      9.7199999E-02
 C   6.9200002E-02  -2.354400      0.7711000    
 C  -0.5747000       1.963900      0.7703000    
 C    3.741400      0.7892000      -1.185400    
 C  -3.1999999E-03  -3.083400     -0.4109000    
 C    4.254300     -0.5439000      0.7633000    
 C  -0.9190000      -2.478300       1.741400    
 C   -1.443000       2.163400     -0.2865000    
 C    4.898000      0.3216000      -1.809500    
 C   -1.077400      -3.947100     -0.6249000    
 C    5.410900      -1.011400      0.1392000    
 C   -1.993100      -3.342100       1.527400    
 C   -1.717100       3.474900     -0.6581000    
 C    5.732600     -0.5787000      -1.147100    
 C   -2.072300      -4.076400      0.3443000    
 C  -0.2661000       4.214300       1.075400    
 C   -1.121500       4.525800      3.0700000E-02
 C   -3.262800      0.6880000     -0.4416000    
 C   -3.201200     -0.9881000      -2.324800    
 C   -5.103100     -0.9389000     -0.7455000    
 H    1.986500       1.869900      0.4056000    
 H    2.319100      0.9122000       1.856200    
 H    1.469200      -1.361100       2.069400    
 H    2.090900      -1.840300      0.4794000    
 H   -1.111200     -7.3700003E-02   1.045900    
 H  -2.4400000E-02  0.5586000       2.286300    
 H   0.7368000      0.9577000      -1.415400    
 H    1.457300     -0.6710000      -1.490500    
 H  -0.2789000     -0.5047000      -1.189400    
 H    3.109300       1.499300      -1.710900    
 H   0.7685000      -3.003900      -1.171300    
 H    4.024400     -0.8800000       1.770600    
 H  -0.8648000      -1.923400       2.674100    
 H    5.150200      0.6605000      -2.810000    
 H   -1.138500      -4.520100      -1.545400    
 H    6.062400      -1.710000      0.6560000    
 H   -2.766800      -3.444300       2.282600    
 H   -2.392400       3.684700      -1.482900    
 H    6.633800     -0.9417000      -1.632500    
 H   -2.908800      -4.748500      0.1772000    
 H   0.2242000       4.997500       1.644200    
 H   -1.320300       5.555800     -0.2417000    
 H   -3.025800      -2.046600      -2.116400    
 H   -2.254300     -0.5136000      -2.586400    
 H   -3.886400     -0.8942000      -3.172500    
 H   -5.814100     -0.8337000      -1.569900    
 H   -5.503200     -0.4324000      0.1363000    
 H   -4.963600      -1.998900     -0.5140000    


%chk=000048318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048318

1 1
O -3.058522 1.200001 -0.692599
O -2.709419 0.965768 1.637904
N 1.100697 -0.136018 -0.047911
N 0.380665 2.662364 -0.731338
N -4.645466 0.116064 0.600431
C 2.077149 0.722856 0.854658
C 1.115024 -1.609043 0.501676
C -0.324242 0.411582 0.107653
C 1.542088 -0.117412 -1.502850
C 3.531916 0.316649 0.794216
C 0.255256 -2.602177 -0.249854
C -0.629336 1.769127 -0.512276
C 4.396545 0.897753 -0.172644
C 0.791129 -3.336592 -1.341238
C 4.079863 -0.582012 1.749087
C -1.073042 -2.875300 0.175056
C -1.975986 2.106294 -0.822756
C 5.767419 0.563157 -0.205000
C 0.007805 -4.298669 -2.014400
C 5.451959 -0.914177 1.721413
C -1.855735 -3.841133 -0.494772
C -2.269559 3.370451 -1.375018
C 6.297121 -0.347348 0.739373
C -1.319476 -4.549643 -1.594915
C 0.095548 3.883895 -1.263662
C -1.216685 4.279924 -1.601808
C -3.443670 0.761951 0.636050
C -5.477028 -0.054721 -0.607621
C -5.208253 -0.396500 1.867449
H 1.912513 1.751538 0.494442
H 1.664941 0.618241 1.873316
H 0.794706 -1.516277 1.554006
H 2.177695 -1.897709 0.479080
H -0.998824 -0.340755 -0.335173
H -0.545410 0.449011 1.189353
H 1.617226 0.929329 -1.826129
H 2.520739 -0.611475 -1.582074
H 0.796607 -0.655797 -2.105818
H 3.999392 1.630072 -0.885975
H 1.829668 -3.171801 -1.653292
H 3.439377 -1.004302 2.533852
H -1.487129 -2.352244 1.046814
H 6.424179 1.021980 -0.951215
H 0.434279 -4.861984 -2.850559
H 5.863032 -1.600719 2.468570
H -2.873273 -4.053574 -0.150746
H -3.307232 3.618439 -1.616191
H 7.362407 -0.599608 0.720634
H -1.923668 -5.303827 -2.109648
H 0.947461 4.553311 -1.417338
H -1.406029 5.270109 -2.024826
H -5.701622 -1.126860 -0.756427
H -4.951825 0.327970 -1.491030
H -6.432892 0.488705 -0.489101
H -6.170750 0.102052 2.082951
H -4.507241 -0.191353 2.689171
H -5.382789 -1.485461 1.793548


