%chk=000152809.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152809

0 1
 O    1.424000      0.6796000     -0.2400000    
 O   0.4192000      -1.246800      0.6134000    
 O    5.180300     -0.7532000      0.7424000    
 O    3.985900      0.4210000      -1.476600    
 O    2.821700      -1.858500       1.999900    
 O   0.9198000       3.241900      -1.088700    
 O   -1.881600      -1.792800      -2.708200    
 O   3.3199999E-02  -2.090700      -1.667700    
 O   -5.225200       1.342300       1.467200    
 O   -5.476800      0.5537000     -0.5706000    
 N   -1.138900      -1.649000      -1.709200    
 N   -4.788300      0.7325000      0.4622000    
 C    3.956200     -4.0300000E-02  0.8966000    
 C    3.827000       1.025900     -0.1917000    
 C    2.789700      -1.026300      0.8405000    
 C    2.442900       1.679600     -0.1153000    
 C    1.452500     -0.2827000      0.8133000    
 C    2.220100       2.697600      -1.227500    
 C  -0.8612000     -0.7690000      0.5587000    
 C   -1.646300     -0.9552000     -0.5763000    
 C   -1.370300     -8.7800004E-02   1.661800    
 C   -2.949000     -0.4572000     -0.6085000    
 C   -2.672900      0.4100000       1.629600    
 C   -3.462100      0.2254000      0.4945000    
 H    3.989500      0.4416000       1.881800    
 H    4.624900       1.769100     -8.9699998E-02
 H    2.890000      -1.690600     -2.6400000E-02
 H    2.305700       2.179600      0.8525000    
 H    1.301100      0.2192000       1.777900    
 H    2.277000       2.240100      -2.220400    
 H    2.948200       3.512200      -1.172000    
 H    5.213000      -1.430400       1.439600    
 H    3.205700     -0.1315000      -1.652700    
 H    2.055700      -2.455600       1.950400    
 H   0.2864000       2.504900      -1.128800    
 H  -0.7801000      4.9100000E-02   2.563300    
 H   -3.566700     -0.5996000      -1.492100    
 H   -3.040400      0.9327000       2.509000    


%chk=000152809-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152809

0 1
O 1.724685 1.275562 -0.386461
O 0.330492 -0.635180 -0.482085
O 4.993037 -1.185957 0.699364
O 4.516698 0.959068 -1.246994
O 2.295968 -2.167429 0.992018
O 1.742462 4.082992 -0.176690
O -2.256306 -3.582192 -1.312619
O -0.304147 -3.270959 -0.188746
O -5.552024 1.330546 1.020420
O -5.961643 -0.841302 0.442780
N -1.448193 -2.856063 -0.624362
N -5.172561 0.161102 0.629218
C 3.834241 -0.322508 0.824076
C 4.127248 1.047219 0.159977
C 2.582689 -0.975755 0.204499
C 2.873849 1.943774 0.325836
C 1.404511 0.009438 0.264987
C 2.992838 3.331768 -0.310307
C -0.986266 -0.409408 -0.118577
C -1.904826 -1.488307 -0.268355
C -1.465207 0.852922 0.312063
C -3.281859 -1.306086 -0.050283
C -2.832283 1.038482 0.572355
C -3.723988 -0.041541 0.377307
H 3.604579 -0.133372 1.899847
H 5.000561 1.504941 0.655565
H 2.768865 -1.234567 -0.859257
H 2.600583 2.047224 1.397943
H 1.079587 0.182174 1.315866
H 3.308149 3.234094 -1.367072
H 3.751310 3.920210 0.231665
H 4.729241 -2.083803 1.032235
H 3.735059 0.647900 -1.774153
H 1.528338 -2.656838 0.586017
H 1.050161 3.601897 -0.698049
H -0.761074 1.685359 0.401666
H -3.988729 -2.128012 -0.191609
H -3.226144 2.003405 0.902116


