%chk=000157521.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157521

0 1
 O   -4.044600      0.9538000       1.475800    
 O   0.3261000      -3.178900      0.8354000    
 N   0.3736000      -1.304600     -0.1310000    
 N   0.7788000      -2.562000     -0.1363000    
 C   -1.722500      9.7000003E-03 -1.0500000E-02
 C  -0.9376000      -1.088900     -0.7305000    
 C   -3.100600      0.2704000     -0.6339000    
 C    1.363000     -0.4183000     -0.7606000    
 C    2.445400     -3.1900000E-02  0.2459000    
 C    3.475300      0.9089000     -0.3832000    
 C   -3.875500       1.356400      0.1195000    
 C    4.579500       1.269600      0.6103000    
 C   -5.247700       1.585200     -0.5000000    
 C    5.586700       2.230600     -1.0000000E-03
 H   -1.151900      0.9465000     -2.0700000E-02
 H   -1.841300     -0.2750000       1.042600    
 H   -1.550400      -2.000400     -0.6597000    
 H  -0.8658000     -0.8757000      -1.806300    
 H   -2.980300      0.5602000      -1.684500    
 H   -3.671200     -0.6668000     -0.6128000    
 H   0.8910000      0.5175000      -1.090100    
 H    1.802200     -0.8675000      -1.662900    
 H    2.959800     -0.9283000      0.6142000    
 H    1.987900      0.4576000       1.115200    
 H    2.975700       1.823100     -0.7262000    
 H    3.919200      0.4326000      -1.266000    
 H   -3.305200       2.292100      0.1132000    
 H    4.141200       1.730100       1.503300    
 H    5.099500      0.3610000      0.9356000    
 H   -5.857700      0.6766000     -0.4493000    
 H   -5.164900       1.895800      -1.545900    
 H   -5.792000       2.360000      5.0600000E-02
 H    6.367600       2.474200      0.7262000    
 H    6.066700       1.788800     -0.8800000    
 H    5.103300       3.164200     -0.3059000    
 H   -4.521200       1.665700       1.936000    


%chk=000157521-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157521

0 1
O -3.245544 1.206917 1.659197
O -0.220379 -3.647994 0.194139
N 0.408702 -1.697485 -0.764650
N 0.762845 -2.893476 -0.159549
C -1.458310 -0.054994 -0.248452
C -0.993550 -1.306242 -1.028023
C -2.947802 0.244332 -0.523181
C 1.559713 -0.849106 -1.138962
C 2.140202 -0.028382 0.037418
C 3.345714 0.832129 -0.400919
C -3.453372 1.491553 0.220647
C 3.968273 1.633305 0.765937
C -4.931807 1.801962 -0.073057
C 5.171147 2.495486 0.326450
H -0.848768 0.824902 -0.540014
H -1.317409 -0.208091 0.835564
H -1.605137 -2.182617 -0.742537
H -1.110929 -1.139258 -2.118117
H -3.113790 0.393350 -1.609708
H -3.565569 -0.620173 -0.209592
H 1.228921 -0.175249 -1.951145
H 2.347341 -1.509253 -1.546161
H 2.447674 -0.734098 0.833201
H 1.352897 0.619295 0.469440
H 3.032158 1.537104 -1.199828
H 4.123414 0.178820 -0.849187
H -2.827342 2.366126 -0.071989
H 3.191170 2.282223 1.218726
H 4.285838 0.928694 1.560711
H -5.569272 0.954061 0.236049
H -5.091514 1.984652 -1.151976
H -5.269893 2.704982 0.471148
H 5.598011 3.057004 1.177522
H 5.975046 1.866552 -0.100356
H 4.872814 3.228615 -0.446809
H -3.629392 1.946655 2.194560


