%chk=000158795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158795

0 1
 O    3.428200      0.6392000      0.9065000    
 O    2.870700      -2.014700      -1.452800    
 O    5.186800      -1.648400     -7.9400003E-02
 O   -6.122400       1.572900     -0.6032000    
 O    4.754000       3.060700      0.4150000    
 N    1.209600      6.1099999E-02  0.2950000    
 N   -3.390000      0.4464000      0.3249000    
 N  -0.5274000       1.449700      0.1145000    
 N   3.0400001E-02  -2.034100      0.6444000    
 N   -2.387600      -1.703400      0.6410000    
 C    2.598200     -0.3915000      0.3373000    
 C    3.189800     -0.7052000      -1.028600    
 C    4.670300     -0.5096000     -0.7681000    
 C    4.678600      0.6847000      0.1809000    
 C    4.763500       2.019600     -0.5459000    
 C   -4.741000     -6.2199999E-02  0.4305000    
 C   8.9800000E-02 -0.7100000      0.4372000    
 C   -5.207300     -0.5928000     -0.9045000    
 C  -0.9751000      0.1692000      0.3217000    
 C   0.7856000       1.350700      0.1041000    
 C   -5.717100       1.071800      0.6807000    
 C   -2.252100     -0.3719000      0.4310000    
 C   -5.680800      0.6588000      -1.615500    
 C   -1.254700      -2.441000      0.7334000    
 H    2.630200      -1.257400       1.010000    
 H    2.845700      7.1000000E-03  -1.788300    
 H    5.258200     -0.3747000      -1.680500    
 H    5.476800      0.6167000      0.9287000    
 H    3.913200       2.178500      -1.216400    
 H    5.687900       2.094300      -1.126000    
 H   -4.804000     -0.8033000       1.234500    
 H   -6.062800      -1.261700     -0.7487000    
 H   -4.455100      -1.139900      -1.480200    
 H    1.470700       2.174500     -4.1999999E-02
 H    1.903300      -2.071300      -1.530800    
 H   -6.620500      0.7035000       1.179500    
 H   -5.304200       1.891900       1.276300    
 H    6.123300      -1.470500      0.1131000    
 H   -3.240500       1.427700      0.1166000    
 H   -4.863400       1.137600      -2.165100    
 H   -6.498600      0.4598000      -2.313800    
 H    3.929900       2.981200      0.9252000    
 H   -1.400800      -3.502700      0.9013000    


%chk=000158795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158795

0 1
O 3.496076 1.268529 0.500194
O 2.894581 -2.307064 -0.120509
O 5.277819 -1.439905 0.690695
O -6.055914 1.536585 0.261584
O 5.007180 3.137068 -0.965260
N 1.266467 0.434675 0.568374
N -3.396546 0.255856 0.250562
N -0.673688 1.655715 0.674980
N 0.290417 -1.815599 0.101013
N -2.153546 -1.748024 -0.044131
C 2.688242 0.066693 0.685537
C 3.157944 -0.922300 -0.420464
C 4.687010 -0.673317 -0.402210
C 4.824987 0.831097 -0.095530
C 5.062122 1.720377 -1.321453
C -4.698111 -0.395842 0.032848
C 0.223342 -0.465602 0.343008
C -5.279681 -0.095997 -1.386607
C -0.963912 0.305652 0.410247
C 0.669612 1.691969 0.771269
C -5.762550 0.254554 0.936565
C -2.196487 -0.388770 0.203124
C -6.073490 1.233330 -1.199641
C -0.945914 -2.373819 -0.078141
H 2.874628 -0.377039 1.685126
H 2.722904 -0.602702 -1.391159
H 5.153529 -0.948622 -1.369191
H 5.595663 0.998893 0.675670
H 4.321643 1.479622 -2.115706
H 6.078705 1.554177 -1.716791
H -4.564578 -1.474817 0.203141
H -5.948875 -0.920200 -1.689518
H -4.474487 -0.017913 -2.133860
H 1.266772 2.575832 0.974040
H 1.865984 -2.394082 -0.034210
H -6.668498 -0.384938 0.988146
H -5.412199 0.492166 1.952917
H 4.757154 -2.291770 0.732387
H -3.386913 1.267070 0.418616
H -5.610647 2.098829 -1.701934
H -7.122789 1.135084 -1.538135
H 4.161661 3.285194 -0.467455
H -0.966316 -3.449346 -0.274638


