%chk=000071039.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071039

0 1
 O    3.240300       1.264500      1.9999999E-04
 O  -0.8407000       1.474600      0.4896000    
 O   -5.295600       1.253300      0.4544000    
 O    3.462300      -1.011500      2.4800001E-02
 N   -2.705000      0.7054000     -0.6545000    
 N    1.360400      2.7300000E-02 -5.0000002E-04
 C  -0.9195000     -0.8158000     -6.3999998E-03
 C   0.4573000      -1.039700      3.7000000E-03
 C   -1.469600      0.5340000     -2.2600001E-02
 C   -3.367900       1.984200     -0.7737000    
 C   -1.801700      -1.896300     -5.0000002E-04
 C   0.9517000      -2.344000      1.9800000E-02
 C   -1.307200      -3.200500      1.5500000E-02
 C   6.9499999E-02  -3.424400      2.5699999E-02
 C   -4.283000       2.250100      0.4076000    
 C    2.750800     -1.4500000E-02  9.4999997E-03
 C    4.667000       1.391900      9.7000003E-03
 C    5.030900       2.861200     -2.3000001E-03
 H   -3.946600       1.948900      -1.702600    
 H   -2.616300       2.775600     -0.8574000    
 H   -2.880200      -1.768900      2.6600000E-02
 H   -3.156000     -7.9200000E-02  -1.113100    
 H    2.000600      -2.603200      2.8999999E-02
 H   0.9622000      0.9617000     -1.7100001E-02
 H   -1.993700      -4.042100      2.8100001E-02
 H   0.4530000      -4.440500      4.0100001E-02
 H   -4.769400       3.224300      0.3038000    
 H   -3.737000       2.233800       1.356300    
 H    5.069500      0.9182000      0.9120000    
 H    5.082800      0.9004000     -0.8768000    
 H    6.116200       2.995500      4.4999998E-03
 H    4.619200       3.352900     -0.8898000    
 H    4.606000       3.370500      0.8690000    
 H   -4.852700      0.3921000      0.5439000    


%chk=000071039-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071039

0 1
O 3.118622 1.298739 0.060687
O -0.811098 1.477361 -0.135304
O -4.945094 1.725609 1.082500
O 3.485492 -1.021633 0.040479
N -2.836315 0.553115 -0.728368
N 1.312161 -0.048056 -0.037247
C -0.955602 -0.965011 -0.200477
C 0.466684 -1.172017 -0.075059
C -1.513889 0.417955 -0.344466
C -3.447599 1.885577 -0.907918
C -1.808865 -2.103640 -0.179018
C 0.974587 -2.501020 0.009462
C -1.301873 -3.410634 -0.080569
C 0.099213 -3.599643 0.002151
C -3.891540 2.514435 0.428062
C 2.697246 -0.039524 0.021809
C 4.593742 1.498139 0.129174
C 4.826861 3.005116 0.165695
H -4.325731 1.766985 -1.566198
H -2.714102 2.554135 -1.395476
H -2.897654 -1.975563 -0.207144
H -3.360259 -0.265579 -1.033565
H 2.054737 -2.641039 0.084344
H 0.807180 0.866243 -0.030146
H -1.982871 -4.267100 -0.059651
H 0.512163 -4.611844 0.074005
H -4.347695 3.499409 0.235316
H -3.012766 2.648360 1.088169
H 4.975798 0.989236 1.032916
H 5.054348 1.020179 -0.754650
H 5.911014 3.214218 0.217425
H 4.421412 3.488120 -0.739645
H 4.342125 3.457058 1.047786
H -4.542832 0.882116 1.411420


