%chk=000145916.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145916

0 1
 O    3.495700       1.054200     -0.2531000    
 O   -3.073100       1.614700     -0.6234000    
 O   -3.956800     -0.7699000      0.4925000    
 O    1.630200       1.443000       1.052900    
 N    2.333400      -1.305900     -0.8015000    
 C    1.526200     -7.6600000E-02 -0.8109000    
 C   6.7400001E-02 -0.2727000     -0.4683000    
 C   0.5779000      -2.612700      0.3375000    
 C  -0.3815000      -1.473700      0.1105000    
 C    2.033400      -2.148100      0.3595000    
 C  -0.8523000      0.7601000     -0.7058000    
 C   -1.738900      -1.631100      0.4211000    
 C    2.193000      0.8932000      0.1158000    
 C   -2.199400      0.5979000     -0.3825000    
 C   -2.642300     -0.5968000      0.1795000    
 C    4.255300       1.960900      0.5525000    
 C   -3.268200       2.563300      0.4236000    
 H    1.575400      0.3459000      -1.822700    
 H   0.3509000      -3.109500       1.288200    
 H   0.4358000      -3.345900     -0.4665000    
 H    2.252900      -1.610300       1.290300    
 H    2.688000      -3.026500      0.3424000    
 H    3.327400      -1.082400     -0.8318000    
 H  -0.5155000       1.695400      -1.147700    
 H   -2.092500      -2.565100      0.8518000    
 H   -4.446400      2.6100000E-02  0.2227000    
 H    5.272500       1.999700      0.1537000    
 H    4.296600       1.604700       1.586300    
 H    3.821000       2.964100      0.5058000    
 H   -2.335000       3.094800      0.6353000    
 H   -3.633700       2.071700       1.330800    
 H   -4.016700       3.288800      9.3400002E-02


%chk=000145916-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145916

0 1
O 2.252362 1.860673 0.028949
O -2.878685 1.727493 0.124577
O -3.868523 -0.633827 0.921239
O 3.231338 0.072635 1.154083
N 2.236280 -1.696601 -0.950754
C 1.647383 -0.369790 -0.747740
C 0.181008 -0.463675 -0.293843
C 0.442542 -2.979887 0.117080
C -0.378082 -1.697514 0.127713
C 1.951555 -2.684514 0.118199
C -0.618089 0.711191 -0.309685
C -1.737274 -1.737561 0.534587
C 2.456974 0.493808 0.266413
C -1.960963 0.652359 0.090295
C -2.529261 -0.581497 0.518750
C 2.964454 2.785132 0.948230
C -2.392233 3.041228 -0.294397
H 1.679180 0.185825 -1.704768
H 0.178270 -3.607963 0.989190
H 0.195161 -3.559942 -0.793875
H 2.272072 -2.327190 1.121082
H 2.517620 -3.604828 -0.111217
H 3.232837 -1.646312 -1.191586
H -0.165421 1.655608 -0.626496
H -2.191708 -2.676940 0.866470
H -4.252488 0.279631 0.841147
H 2.678862 3.792444 0.613949
H 4.054027 2.633998 0.869277
H 2.649001 2.604572 1.989443
H -2.054340 3.020344 -1.348355
H -1.562338 3.381544 0.354625
H -3.250823 3.720857 -0.190681


