%chk=000085010.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085010

0 1
 O    4.754500     -2.7700000E-02  0.3268000    
 O    3.027100       1.345900     -0.3430000    
 N   -2.813000      -1.843200      0.2127000    
 C   0.7158000     -0.9210000      0.3877000    
 C  -0.7775000      -1.016000      0.2902000    
 C    1.449100     -0.9920000     -0.9598000    
 C   -1.665500      6.8700001E-02  0.1403000    
 C   -2.949500     -0.4784000      9.3500003E-02
 C   -1.490600      -2.176700      0.3331000    
 C    2.974300      -1.027600     -0.8396000    
 C   -1.519800       1.466500      3.8300000E-02
 C   -4.099800      0.3055000     -5.0900001E-02
 C   -2.661400       2.263200     -0.1065000    
 C   -3.930600       1.689500     -0.1501000    
 C    3.553500      0.2438000     -0.2616000    
 C    5.433400       1.099400      0.8891000    
 H   0.9819000      6.8000001E-03  0.9084000    
 H    1.075900      -1.735600       1.030500    
 H    1.145200     -0.1408000      -1.582400    
 H    1.127000      -1.894300      -1.495500    
 H   -1.191100      -3.210200      0.4366000    
 H    3.261600      -1.873500     -0.2044000    
 H    3.421000      -1.174500      -1.829000    
 H   -3.578800      -2.502700      0.2113000    
 H  -0.5377000       1.929800      6.8999998E-02
 H   -5.088200     -0.1402000     -8.5000001E-02
 H   -2.555000       3.341800     -0.1859000    
 H   -4.803600       2.327100     -0.2631000    
 H    4.826800       1.551300       1.679700    
 H    5.661200       1.832300      0.1093000    
 H    6.372400      0.7479000       1.325200    


%chk=000085010-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085010

0 1
O 4.673055 0.305749 0.196956
O 2.581731 1.310112 0.026408
N -3.023129 -1.830663 0.256256
C 0.711663 -1.423745 0.403874
C -0.790923 -1.320403 0.321572
C 1.409175 -1.166329 -0.962384
C -1.547787 -0.090999 0.134413
C -2.944020 -0.441509 0.096850
C -1.724704 -2.353201 0.393152
C 2.935794 -0.995628 -0.832941
C -1.171415 1.273979 0.007958
C -3.961420 0.525274 -0.065977
C -2.182651 2.241125 -0.153112
C -3.560977 1.871613 -0.191500
C 3.323395 0.318824 -0.169645
C 5.183389 1.551795 0.819999
H 1.086424 -0.677663 1.132395
H 1.009300 -2.421144 0.782648
H 0.981838 -0.256994 -1.421383
H 1.189454 -2.006579 -1.647609
H -1.562655 -3.420967 0.532880
H 3.397126 -1.823505 -0.262401
H 3.416683 -1.009633 -1.831524
H -3.882380 -2.374230 0.280606
H -0.114624 1.565087 0.038181
H -5.021742 0.248717 -0.092936
H -1.911606 3.298403 -0.251048
H -4.322584 2.649455 -0.319138
H 4.624968 1.772869 1.745158
H 5.075999 2.400118 0.123143
H 6.241222 1.345170 1.034052


