%chk=000162918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162918

0 1
 O    3.184500      0.1419000       2.292700    
 O    5.022600      8.0300003E-02  0.2084000    
 N   -2.393700      -2.239500     -0.2321000    
 N   -4.690800       1.152800       1.042300    
 C  -0.4825000     -0.7812000     -0.8270000    
 C  -0.9392000      -2.077500     -0.1151000    
 C   -1.376200      0.4122000     -0.5128000    
 C   -2.625400      0.2122000      0.1046000    
 C   -3.071600      -1.170400      0.5186000    
 C   0.9962000     -0.5490000     -0.5452000    
 C   -3.450800       1.312600      0.3801000    
 C   -1.013400       1.711600     -0.9062000    
 C   -2.810200      -3.551400      0.2631000    
 C    1.420700     -0.3068000      0.7571000    
 C    1.911200     -0.5810000      -1.592500    
 C   -3.062700       2.598900      9.9999998E-03
 C   -1.848200       2.797100     -0.6393000    
 C    2.774900     -9.4499998E-02   1.015300    
 C    3.265500     -0.3685000      -1.334500    
 C    3.697300     -0.1253000     -3.0600000E-02
 C    5.491900       1.425500      0.1432000    
 H  -0.6100000     -0.9536000      -1.906700    
 H  -0.4254000      -2.926300     -0.5870000    
 H  -0.6496000      -2.088900      0.9444000    
 H   -2.909100      -1.279500       1.599100    
 H   -4.143000      -1.280500      0.3148000    
 H  -7.5900003E-02   1.892900      -1.425400    
 H   -2.339900      -4.349200     -0.3225000    
 H   -3.892800      -3.678500      0.1527000    
 H   -2.550800      -3.699400       1.317700    
 H   0.7110000     -0.2717000       1.579900    
 H    1.589400     -0.7693000      -2.612900    
 H   -3.699800       3.455100      0.2171000    
 H   -1.549600       3.797100     -0.9401000    
 H    3.978600     -0.3946000      -2.154000    
 H   -5.261100       1.967400       1.230400    
 H   -4.973400      0.2608000       1.421800    
 H    4.153500      0.2267000       2.296100    
 H    4.960000       2.058400      0.8606000    
 H    5.370400       1.822900     -0.8695000    
 H    6.555800       1.429700      0.3949000    


%chk=000162918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162918

0 1
O 3.083331 0.926682 2.419160
O 4.999288 0.616732 0.580221
N -2.273686 -2.242644 -0.326902
N -4.992916 0.846478 0.992491
C -0.495838 -0.565084 -0.726478
C -0.867305 -1.904558 -0.037463
C -1.510434 0.525968 -0.353685
C -2.791766 0.162498 0.132370
C -3.208925 -1.291397 0.302299
C 0.961069 -0.212084 -0.430256
C -3.732131 1.184213 0.479822
C -1.184226 1.894099 -0.537036
C -2.622989 -3.640886 -0.027293
C 1.352567 0.229612 0.862127
C 1.953982 -0.383143 -1.422964
C -3.391602 2.550499 0.289481
C -2.125765 2.895381 -0.222452
C 2.702001 0.489247 1.144652
C 3.320729 -0.123403 -1.149734
C 3.692058 0.310500 0.135027
C 6.088910 0.482651 -0.385712
H -0.587953 -0.744898 -1.817041
H -0.220877 -2.709201 -0.432257
H -0.668024 -1.826144 1.062505
H -3.328896 -1.511512 1.403594
H -4.208130 -1.447282 -0.159065
H -0.191967 2.165602 -0.910902
H -1.947138 -4.319564 -0.576751
H -3.657101 -3.845852 -0.361058
H -2.558064 -3.893628 1.062569
H 0.610197 0.399596 1.648182
H 1.662060 -0.719764 -2.424532
H -4.118084 3.331325 0.547648
H -1.871059 3.951665 -0.366327
H 4.069035 -0.259321 -1.936719
H -5.653171 1.578999 1.234844
H -5.233617 -0.108902 1.233145
H 4.068510 1.061026 2.418769
H 5.937601 1.158017 -1.249689
H 6.177577 -0.562237 -0.740488
H 7.001149 0.770212 0.157396


