%chk=000158931.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158931

0 1
 O   -2.251900      -1.991900      1.6000000E-03
 O    2.305200      -1.917000      7.1199998E-02
 O   -2.464500       2.087100     -0.4609000    
 O    2.179000       2.286300      6.9600001E-02
 N   -1.224400      0.1240000     -0.1714000    
 N    1.215100      0.1641000     -0.1363000    
 N   2.8999999E-02  -1.878900     -0.1872000    
 C  -6.0999999E-03  0.7217000     -0.7078000    
 C   -1.244800      -1.292500     -0.1139000    
 C    1.280000      -1.251100     -7.5999998E-02
 C   -2.318200      0.9828000      6.8899997E-02
 C    2.273600       1.058000      0.1325000    
 C   -3.371700      0.4726000       1.020100    
 C    3.599800      0.4348000      0.4896000    
 H   1.3300000E-02  0.5021000      -1.783300    
 H  -3.3599999E-02   1.809200     -0.5907000    
 H   4.5499999E-02  -2.895200     -0.1763000    
 H   -4.103400     -0.1248000      0.4704000    
 H   -3.881100       1.322500       1.483900    
 H   -2.922200     -0.1259000       1.817000    
 H    3.987800     -0.1441000     -0.3521000    
 H    3.504200     -0.1842000       1.385200    
 H    4.320400       1.228800      0.7110000    


%chk=000158931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158931

0 1
O -2.249935 -1.986973 0.229581
O 2.336453 -1.972911 -0.040708
O -2.089901 2.251320 0.006797
O 2.123465 2.265347 -0.249008
N -1.194061 0.117638 -0.160518
N 1.229245 0.125486 -0.304900
N 0.020276 -1.889845 -0.293378
C -0.022331 0.677054 -0.871449
C -1.243726 -1.290551 -0.049933
C 1.300383 -1.282639 -0.200135
C -2.224113 1.030522 0.272953
C 2.298305 1.046024 -0.000553
C -3.403672 0.469859 1.036816
C 3.568228 0.495380 0.610479
H -0.084946 0.425846 -1.946323
H -0.018996 1.770047 -0.748549
H 0.024714 -2.914220 -0.274283
H -4.018660 -0.179984 0.392099
H -4.001103 1.321103 1.395095
H -3.082179 -0.157716 1.885059
H 4.100544 -0.153595 -0.105072
H 3.361807 -0.130507 1.494778
H 4.201200 1.351718 0.886252


