%chk=000065859.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065859

0 1
 O   -5.239100      0.1433000     -0.9786000    
 O   -5.195800      -1.589600       1.191900    
 N   -1.695200      0.6612000     -1.9500000E-02
 N    1.128800      0.2412000     -0.1096000    
 C   -1.144900     -0.5565000     -0.6279000    
 C  -0.7829000       1.788600     -0.2460000    
 C   0.2164000     -0.9059000     -2.2000000E-02
 C   0.5912000       1.517400      0.3715000    
 C   -3.019300      0.9544000     -0.5668000    
 C   -3.996700     -0.2051000     -0.3610000    
 C    2.504200     -5.4000001E-03 -3.3599999E-02
 C   -4.254200     -0.5241000       1.110100    
 C    3.146500     -0.8337000     -0.9755000    
 C    3.288900      0.5683000      0.9868000    
 C    4.517700      -1.078300     -0.9003000    
 C    4.660100      0.3237000       1.062000    
 C    5.274400     -0.4996000      0.1185000    
 H   -1.769900      -1.433100     -0.4389000    
 H   -1.048000     -0.4417000      -1.715800    
 H  -0.6686000       1.985300      -1.320800    
 H   -1.190100       2.699000      0.2105000    
 H   9.9699996E-02  -1.193600       1.031000    
 H   0.6133000      -1.778700     -0.5534000    
 H    1.256600       2.345800      9.8300003E-02
 H   0.5061000       1.497300       1.465700    
 H   -3.433000       1.851200     -8.6300001E-02
 H   -2.964600       1.190000      -1.638800    
 H   -3.685700      -1.106500     -0.8961000    
 H   -4.696400      0.3350000       1.624400    
 H   -3.345600     -0.8248000       1.639500    
 H    2.579200      -1.285600      -1.786300    
 H    2.843200       1.205000       1.747100    
 H   -5.858400     -0.5907000     -0.8246000    
 H    4.996700      -1.717100      -1.636500    
 H    5.249300      0.7719000       1.856800    
 H    6.342000     -0.6900000      0.1770000    
 H   -4.797900      -2.364700      0.7599000    


%chk=000065859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065859

0 1
O -5.357659 0.084274 -0.994051
O -5.474632 -1.184211 1.530768
N -1.705717 0.439876 -0.253853
N 1.183145 0.173622 -0.194357
C -1.012767 -0.533915 -1.133082
C -0.833639 1.623028 -0.059810
C 0.308781 -0.984616 -0.490621
C 0.502256 1.220654 0.591142
C -3.067641 0.788672 -0.731484
C -4.108909 -0.259525 -0.304015
C 2.579594 -0.022146 -0.029208
C -4.346263 -0.275728 1.214672
C 3.290182 -0.962498 -0.838449
C 3.336729 0.736177 0.916220
C 4.682872 -1.125980 -0.709100
C 4.733694 0.569885 1.028931
C 5.424342 -0.361112 0.222753
H -1.657670 -1.418442 -1.283850
H -0.800472 -0.088197 -2.137941
H -0.618632 2.136914 -1.030762
H -1.348319 2.343384 0.602158
H 0.078084 -1.541952 0.446773
H 0.819907 -1.677137 -1.176528
H 1.144485 2.117389 0.630189
H 0.310724 0.883436 1.637029
H -3.361323 1.763063 -0.297525
H -3.119847 0.899230 -1.840197
H -3.776320 -1.276090 -0.620729
H -4.693369 0.714319 1.555878
H -3.421925 -0.555969 1.753757
H 2.762003 -1.550020 -1.596004
H 2.840627 1.444652 1.585542
H -6.087561 -0.371647 -0.493612
H 5.194892 -1.851086 -1.352734
H 5.281700 1.168230 1.766523
H 6.507462 -0.489943 0.316900
H -5.160815 -2.122693 1.481377


