%chk=000083435.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083435

0 1
 O   -1.408200       1.558900      0.3296000    
 O   0.2655000     -9.2000000E-02   2.046100    
 O    3.166700      -3.010000     -0.2085000    
 O   -3.315500       2.408100     -0.6402000    
 N    1.447500       2.056200      0.3327000    
 N    3.208500     -0.7569000     -0.7877000    
 N    1.709400      -1.572800      0.9308000    
 N    3.032400       1.665400      -1.185700    
 N   -4.881000      -1.515800     -0.3485000    
 C    1.706800      0.7167000      0.3872000    
 C    2.679700      0.5046000     -0.5512000    
 C   0.4966000       2.800000       1.123600    
 C    1.138300     -0.3023000       1.208500    
 C    2.270200       2.583800     -0.6288000    
 C    2.733200      -1.864400     -4.1400000E-02
 C  -0.8771000       2.870200      0.4703000    
 C    4.243900     -0.9329000      -1.798400    
 C    1.207900      -2.699700       1.710400    
 C   -2.640200       1.471000     -0.2436000    
 C   -3.080100      5.5700000E-02 -0.3311000    
 C   -2.147400     -0.9440000     -0.4684000    
 C   -4.413800     -0.2493000     -0.2746000    
 C   -2.589400      -2.260000     -0.5477000    
 C   -3.954100      -2.490700     -0.4834000    
 H   0.4421000       2.341300       2.115000    
 H   0.8985000       3.810900       1.258300    
 H    2.268800       3.635900     -0.8794000    
 H   -1.546200       3.468700       1.099300    
 H  -0.8028000       3.339800     -0.5181000    
 H    4.560800      -1.976400      -1.871200    
 H    5.109600     -0.3189000      -1.531500    
 H    3.851000     -0.6148000      -2.769100    
 H   0.4407000      -2.408800       2.431400    
 H    2.047600      -3.159000       2.241400    
 H   0.7921000      -3.441800       1.021400    
 H   -1.084600     -0.7446000     -0.5445000    
 H   -5.180400      0.5103000     -0.1637000    
 H   -1.887900      -3.078600     -0.6620000    
 H   -4.350100      -3.499200     -0.5422000    


%chk=000083435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083435

0 1
O -1.492762 1.564188 0.357499
O 0.466110 -0.369066 2.153599
O 3.453389 -2.966944 -0.405279
O -3.195603 2.464662 -0.957833
N 1.455789 2.052454 0.412003
N 3.345807 -0.673138 -0.891524
N 1.971398 -1.644645 0.841229
N 3.053357 1.762716 -1.202967
N -4.894587 -1.460506 -1.258606
C 1.783160 0.684651 0.404867
C 2.763792 0.548124 -0.593549
C 0.429240 2.716529 1.240728
C 1.324823 -0.415679 1.215051
C 2.239332 2.644319 -0.567384
C 2.958544 -1.828301 -0.173928
C -0.900233 2.910261 0.503654
C 4.365593 -0.777396 -1.954503
C 1.600548 -2.872672 1.582598
C -2.677671 1.474975 -0.387497
C -3.201312 0.082338 -0.389719
C -2.619014 -0.950790 0.390952
C -4.333445 -0.220520 -1.192501
C -3.194627 -2.237017 0.330512
C -4.320758 -2.445643 -0.500836
H 0.265574 2.094127 2.135809
H 0.815415 3.703881 1.552112
H 2.200907 3.709152 -0.786455
H -1.582167 3.544577 1.100109
H -0.774027 3.371646 -0.492532
H 4.678369 -1.829801 -2.012848
H 5.228452 -0.134383 -1.714107
H 3.940419 -0.451493 -2.918245
H 0.863556 -2.585142 2.346272
H 2.494197 -3.312786 2.053762
H 1.174913 -3.617704 0.890325
H -1.751930 -0.738988 1.025380
H -4.797973 0.565190 -1.798102
H -2.784629 -3.064298 0.917685
H -4.792947 -3.432276 -0.570630


