%chk=000101319.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101319

0 1
 O   -3.594300      -2.200900      0.5052000    
 O   -1.617200      -1.928900       1.593100    
 O    3.396000      -2.150700      -1.195400    
 O    1.208800      -2.105900     -0.9666000    
 N   8.2000000E-03 -0.2235000      0.1185000    
 N    2.341700      -1.595200     -0.8091000    
 C   -1.221600      0.4060000     -0.1771000    
 C    1.253100      0.3170000      0.2823000    
 C   -2.433800     -0.1971000      0.1585000    
 C    2.435100     -0.3305000     -0.1630000    
 C   -1.212900       1.647400     -0.8133000    
 C    1.414600       1.574200      0.9176000    
 C   -3.637100      0.4414000     -0.1417000    
 C    3.694200      0.2427000      1.6000001E-02
 C   -2.416200       2.285800      -1.113400    
 C    2.673700       2.147200       1.096600    
 C   -3.628300       1.682900     -0.7777000    
 C    3.813400       1.481500      0.6459000    
 C   -2.477200      -1.493400      0.8234000    
 H  -4.9500000E-02  -1.232200      0.2003000    
 H  -0.2923000       2.133800      -1.122500    
 H   0.5532000       2.111000       1.310200    
 H   -4.598000      4.9999999E-03  0.1180000    
 H    4.606700     -0.2430000     -0.3199000    
 H   -2.410000       3.249000      -1.615100    
 H    2.767500       3.108600       1.593100    
 H   -4.564900       2.181000      -1.010400    
 H    4.793600       1.927600      0.7871000    
 H   -3.616500      -3.071300      0.9572000    


%chk=000101319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101319

0 1
O -3.759730 -2.033346 0.975155
O -1.492082 -2.382331 0.669635
O 3.584401 -2.175135 -1.174480
O 1.391010 -2.421897 -0.604674
N 0.004922 -0.234069 -0.018026
N 2.489786 -1.721722 -0.656442
C -1.214432 0.439464 -0.218530
C 1.262826 0.338792 0.192633
C -2.463452 -0.221352 0.067020
C 2.484966 -0.367365 -0.094706
C -1.262336 1.752476 -0.773945
C 1.404245 1.645579 0.758871
C -3.690428 0.459017 -0.165543
C 3.754501 0.220987 0.137946
C -2.488287 2.400284 -1.000199
C 2.662800 2.214828 0.997184
C -3.715120 1.763264 -0.684701
C 3.853713 1.509686 0.677442
C -2.484057 -1.605089 0.582662
H -0.032455 -1.272532 -0.002016
H -0.331918 2.244172 -1.069751
H 0.503303 2.188648 1.055099
H -4.619376 -0.067526 0.068352
H 4.640758 -0.366194 -0.116789
H -2.488457 3.402610 -1.442741
H 2.720577 3.208614 1.454293
H -4.667623 2.271839 -0.860996
H 4.834430 1.955790 0.865632
H -3.692484 -2.977991 1.279415


