%chk=000080777.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080777

0 1
 O  -0.4783000      -2.701200      0.4702000    
 O   -3.307600       1.971500     -0.2784000    
 O    1.305200       2.067000      0.4602000    
 O    3.453400      0.4628000      -1.507500    
 N   0.8682000     -0.2394000      0.5488000    
 C  -0.5273000     -0.3076000      0.3198000    
 C   -1.163900      -1.537600      0.2871000    
 C   -1.228900      0.8727000      0.1328000    
 C   -2.604500      0.8211000     -9.3099996E-02
 C   -2.539500      -1.589000      6.1299998E-02
 C    3.115900      0.5729000      0.8762000    
 C    1.658300      0.9005000      0.6134000    
 C   -3.259700     -0.4097000     -0.1289000    
 C    3.944800      0.4159000     -0.3807000    
 C    5.419500      0.1825000     -0.1828000    
 C   5.5100001E-02  -3.328200     -0.6941000    
 C   -4.710800       1.845800     -0.5043000    
 H  -0.7953000       1.861300      0.1484000    
 H    1.325400      -1.138500      0.6823000    
 H    3.196400     -0.3486000       1.462800    
 H    3.538800       1.388800       1.472900    
 H   -3.056000      -2.544800      3.3100002E-02
 H   -4.324900     -0.5224000     -0.2993000    
 H    5.855300       1.028000      0.3550000    
 H    5.912300      9.0599999E-02  -1.154700    
 H    5.571500     -0.7419000      0.3797000    
 H   0.7424000      -2.657200      -1.218800    
 H  -0.7529000      -3.636400      -1.365200    
 H   0.6075000      -4.218300     -0.3809000    
 H   -5.109700       2.857600     -0.6309000    
 H   -5.220000       1.407400      0.3607000    
 H   -4.922000       1.300800      -1.430600    


%chk=000080777-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080777

0 1
O 0.118416 -2.361045 -0.377734
O -3.414671 1.988292 0.076037
O 1.269734 2.235848 1.043544
O 3.469705 -1.253667 -0.144219
N 1.019502 -0.020387 0.415070
C -0.367902 -0.079732 0.124868
C -0.864220 -1.353235 -0.308196
C -1.256244 1.007602 0.238605
C -2.627490 0.830725 -0.075428
C -2.223746 -1.514851 -0.618404
C 3.236920 0.801553 1.151347
C 1.740969 1.075240 0.845288
C -3.119676 -0.421552 -0.504218
C 3.986085 -0.159276 0.225645
C 5.375917 0.257522 -0.217367
C -0.290172 -3.677584 -0.859824
C -4.838219 1.872878 -0.234670
H -0.892582 1.983135 0.563924
H 1.554581 -0.889999 0.239006
H 3.281291 0.369623 2.173724
H 3.733497 1.783461 1.195731
H -2.606832 -2.484489 -0.949769
H -4.174697 -0.568214 -0.750521
H 5.308158 1.160357 -0.855035
H 5.860221 -0.552786 -0.783237
H 5.998266 0.532137 0.655078
H -0.695890 -3.617740 -1.888727
H -1.044783 -4.132617 -0.188576
H 0.626994 -4.284321 -0.855658
H -5.254663 2.875143 -0.055224
H -5.339425 1.137925 0.426484
H -5.000345 1.586452 -1.293046


