%chk=000157059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157059

0 1
 O  -0.5670000       2.090100       1.853900    
 O  -0.3026000      -2.919500     -1.0200000E-02
 O    2.342700      -3.382100      1.3500000E-02
 N    1.496600       2.961800      0.1017000    
 C   0.4989000       1.972600     -0.3362000    
 C   0.9834000      0.5349000     -0.2165000    
 C  -0.8130000       2.170500      0.4490000    
 C    2.365700      0.2650000     -0.1750000    
 C   3.2600001E-02 -0.5151000     -0.2120000    
 C    3.366200       1.391800     -0.1374000    
 C   -1.837300       1.126400      5.4400001E-02
 C    2.772300       2.730800     -0.5737000    
 C   -1.413500     -0.1866000     -0.2623000    
 C   0.5161000      -1.832100     -0.1340000    
 C    2.807100      -1.057900     -9.7599998E-02
 C    1.886100      -2.100100     -7.9499997E-02
 C   -3.199500       1.463900      3.6400001E-02
 C   -2.400400      -1.121200     -0.6232000    
 C   -4.153900      0.5151000     -0.3158000    
 C   -3.754300     -0.7742000     -0.6491000    
 C  -0.6264000      -3.334000       1.313300    
 H   0.2887000       2.147600      -1.401600    
 H   -1.213100       3.170900      0.2376000    
 H    1.635600       2.889500       1.109100    
 H    3.743500       1.476500      0.8899000    
 H    4.217200       1.155000     -0.7869000    
 H    3.468500       3.539100     -0.3250000    
 H    2.633900       2.759400      -1.661900    
 H    3.872900      -1.267000     -4.2800002E-02
 H   -3.520500       2.469800      0.2946000    
 H   -2.165700      -2.125500     -0.9564000    
 H  -9.7000003E-02   2.899700       2.115400    
 H   -5.206200      0.7819000     -0.3355000    
 H   -4.495900      -1.512000     -0.9424000    
 H    3.314700      -3.373100      4.6000000E-02
 H   0.2530000      -3.753600       1.811400    
 H   -1.392400      -4.111900       1.249900    
 H   -1.024800      -2.501400       1.902100    


%chk=000157059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157059

0 1
O -0.346607 2.218526 1.838249
O -0.477294 -2.865055 0.124966
O 2.240097 -3.444285 0.190215
N 1.526420 3.052246 -0.077970
C 0.512867 2.029786 -0.408999
C 0.986002 0.576946 -0.226758
C -0.758109 2.282633 0.407411
C 2.370180 0.293380 -0.152521
C 0.009944 -0.470002 -0.142159
C 3.421579 1.401229 -0.189601
C -1.815882 1.255710 0.058578
C 2.835539 2.745531 -0.692018
C -1.434792 -0.097203 -0.219696
C 0.456678 -1.813952 0.038944
C 2.791285 -1.050325 -0.014747
C 1.851728 -2.091417 0.074021
C -3.170256 1.650382 -0.009943
C -2.460902 -1.009075 -0.596408
C -4.179934 0.725490 -0.356204
C -3.812212 -0.604460 -0.658765
C -0.432505 -3.697966 1.347138
H 0.229126 2.167873 -1.475789
H -1.125246 3.306624 0.192939
H 1.587061 3.158087 0.946308
H 3.825615 1.546624 0.834106
H 4.277446 1.089720 -0.821782
H 3.536593 3.574552 -0.485510
H 2.691115 2.704411 -1.789457
H 3.866109 -1.279083 0.021968
H -3.430312 2.696617 0.196145
H -2.189777 -2.037489 -0.837578
H -1.161804 2.148757 2.394966
H -5.227773 1.040748 -0.408297
H -4.577558 -1.331698 -0.952850
H 3.225937 -3.516748 0.155599
H 0.516264 -4.256273 1.401795
H -1.283223 -4.390036 1.250589
H -0.561199 -3.065806 2.246316


