%chk=000116914.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116914

1 1
 O  -0.8190000      0.6149000     -0.4700000    
 O   -2.619900       1.261900      0.8179000    
 N    2.018300      0.5972000     -0.3057000    
 N   -5.145700      -1.151100      0.4089000    
 C    1.268600       1.781100     -0.7160000    
 C  -0.1024000       1.772400     -6.1799999E-02
 C    1.916500     -0.5187000      -1.040600    
 C    2.783700      0.6658000      0.7920000    
 C    2.618100      -1.658700     -0.6749000    
 C    3.507200     -0.4436000       1.205600    
 C    3.420700      -1.616200      0.4611000    
 C   -2.081100      0.4778000      4.8400000E-02
 C   -2.699500     -0.7923000     -0.4818000    
 C   -4.065500     -0.9904000      1.6600000E-02
 H    1.838000       2.674700     -0.4380000    
 H    1.185800       1.765200      -1.809100    
 H  -1.0000000E-03   1.769700       1.029800    
 H  -0.6541000       2.669000     -0.3663000    
 H    1.278600     -0.4918000      -1.916000    
 H    2.806500       1.605200       1.331200    
 H    2.542300      -2.566400      -1.263900    
 H    4.128400     -0.3981000       2.093700    
 H    3.978400      -2.496600      0.7663000    
 H   -2.070400      -1.634800     -0.1755000    
 H   -2.713100     -0.7384000      -1.575500    


%chk=000116914-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116914

1 1
O -0.909000 0.867308 -0.594611
O -2.750217 1.872089 0.427200
N 1.933311 0.469847 -0.215509
N -1.265207 -2.374984 -0.995788
C 1.328598 1.704985 -0.826304
C -0.053949 2.025824 -0.244634
C 1.495333 -0.766250 -0.637256
C 2.878602 0.584127 0.781333
C 1.997973 -1.937283 -0.051065
C 3.415919 -0.560880 1.382949
C 2.973392 -1.840733 0.966869
C -2.249940 0.906697 -0.166497
C -2.977619 -0.387092 -0.557785
C -2.059792 -1.505982 -0.813155
H 2.011255 2.552330 -0.650261
H 1.250729 1.541561 -1.913595
H -0.043263 2.159389 0.851860
H -0.453669 2.944870 -0.709007
H 0.734459 -0.786640 -1.416941
H 3.180538 1.594961 1.064135
H 1.607564 -2.896986 -0.396288
H 4.169368 -0.445217 2.165397
H 3.381792 -2.743134 1.430694
H -3.590970 -0.183022 -1.457139
H -3.685808 -0.637983 0.251798


