%chk=000081146.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081146

0 1
 O   -1.706900      0.6934000      1.5900001E-02
 O    6.384700      0.1203000     -1.9600000E-02
 O    5.804200      -2.077100      7.6000001E-03
 N    3.770400      0.9318000     -1.3200000E-02
 C    1.849200     -0.2021000      9.8000001E-03
 C    2.401800       1.080400     -7.7999998E-03
 C   0.4466000     -0.3361000      1.8600000E-02
 C    2.933200      -1.123800      1.4600000E-02
 C  -0.3494000      0.8151000      9.8000001E-03
 C    4.101200     -0.3967000      3.9999999E-04
 C    1.618600       2.240000     -1.7100001E-02
 C   0.2297000       2.082300     -7.7999998E-03
 C   -2.238300     -0.6296000      3.4100000E-02
 C   -3.729800     -0.5035000      1.2800000E-02
 C    5.445900     -0.8791000     -2.6000000E-03
 C   -4.434800     -0.4227000       1.210600    
 C   -4.404000     -0.4678000      -1.204800    
 C   -5.824500     -0.3054000       1.190500    
 C   -5.793800     -0.3503000      -1.224900    
 C   -6.504100     -0.2690000     -2.7100001E-02
 H   5.7399999E-02  -1.346600      3.3799998E-02
 H    2.860000      -2.203300      2.7100001E-02
 H    4.432500       1.695500     -2.5599999E-02
 H    2.068500       3.227000     -3.0999999E-02
 H  -0.4024000       2.967300     -1.5100000E-02
 H   -1.936900      -1.164600      0.9442000    
 H   -1.920200      -1.198200     -0.8496000    
 H   -3.916400     -0.4474000       2.165300    
 H   -3.861600     -0.5278000      -2.144400    
 H   -6.377700     -0.2415000       2.123000    
 H   -6.322800     -0.3214000      -2.172900    
 H   -7.586200     -0.1772000     -4.2599998E-02
 H    7.297000     -0.2404000     -2.1700000E-02


%chk=000081146-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081146

0 1
O -1.703274 0.612793 -0.003210
O 6.492550 0.315193 -0.001751
O 6.067443 -1.986320 0.033867
N 3.867582 0.967398 -0.012459
C 1.949013 -0.281603 0.008547
C 2.478958 1.061694 -0.012788
C 0.538074 -0.487753 0.012759
C 3.071969 -1.178335 0.021827
C -0.295065 0.645377 -0.004439
C 4.234038 -0.388070 0.008181
C 1.630224 2.195634 -0.029870
C 0.247600 1.973889 -0.025467
C -2.340810 -0.727579 0.014435
C -3.837823 -0.531133 0.006012
C 5.627915 -0.811700 0.013110
C -4.554834 -0.416756 1.223098
C -4.544254 -0.446787 -1.219707
C -5.953513 -0.218497 1.216846
C -5.942853 -0.248552 -1.230475
C -6.650596 -0.134779 -0.011068
H 0.136656 -1.504282 0.029260
H 3.062525 -2.266247 0.038755
H 4.544086 1.728854 -0.025113
H 2.029963 3.214675 -0.046104
H -0.459897 2.808424 -0.038154
H -2.010535 -1.268373 0.925015
H -2.004447 -1.294941 -0.877560
H -4.014452 -0.476917 2.175554
H -3.995658 -0.530288 -2.165673
H -6.497838 -0.131321 2.163648
H -6.478978 -0.184705 -2.183798
H -7.735917 0.016329 -0.017650
H 7.433249 -0.003823 0.004672


