%chk=000063189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063189

0 1
 O    5.910800      0.5117000     -0.1271000    
 O    2.295600      -3.012300     -0.4468000    
 N   0.3708000      0.4215000      0.2948000    
 N   0.3092000      -1.924000     -0.1025000    
 C    1.762700      0.4706000      0.1933000    
 C    2.465400     -0.7124000     -6.5300003E-02
 C  -0.2825000     -0.7824000      0.1403000    
 C    3.858600     -0.7056000     -0.1740000    
 C    2.469200       1.667200      0.3425000    
 C    4.553200      0.4945000     -2.2900000E-02
 C    1.686800      -1.971400     -0.2199000    
 C    3.860700       1.677900      0.2347000    
 C   -1.761400     -0.8187000      0.2517000    
 C   -2.431600      0.2675000     -0.1220000    
 C   -3.862000      0.3547000     -7.8400001E-02
 C   -4.610400     -0.5161000      0.7318000    
 C   -4.546800       1.312800     -0.8454000    
 C   -6.002000     -0.4313000      0.7739000    
 C   -5.938400       1.397800     -0.8031000    
 C   -6.666100      0.5258000      6.6000000E-03
 C    6.558100       1.772200      3.7799999E-02
 H  -0.1086000       1.281300      0.5338000    
 H    4.410700      -1.619700     -0.3745000    
 H    1.942100       2.596500      0.5433000    
 H    4.340300       2.642500      0.3621000    
 H   -2.209100      -1.757700      0.5523000    
 H   -1.926200       1.150800     -0.5011000    
 H   -4.143000      -1.263400       1.367500    
 H   -3.999900       2.002400      -1.485100    
 H   -6.569000      -1.106300       1.408300    
 H   -6.455700       2.142900      -1.400500    
 H   -7.749500      0.5928000      4.0600002E-02
 H    7.633500       1.600500     -7.6600000E-02
 H    6.263400       2.481500     -0.7430000    
 H    6.404700       2.175100       1.044700    


%chk=000063189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063189

0 1
O 6.051274 0.434146 0.097937
O 2.361204 -3.068187 0.536573
N 0.424874 0.499721 0.008690
N 0.352811 -1.880227 0.348097
C 1.829752 0.548657 0.020106
C 2.536240 -0.678755 0.203721
C -0.259202 -0.702779 0.173424
C 3.945330 -0.670761 0.222884
C 2.539343 1.761485 -0.141754
C 4.654324 0.538657 0.062427
C 1.772859 -1.958784 0.374392
C 3.946261 1.760633 -0.121124
C -1.727710 -0.707587 0.161426
C -2.558645 0.369657 -0.000050
C -4.029527 0.349440 -0.006088
C -4.792960 -0.844237 0.157685
C -4.729704 1.577840 -0.182364
C -6.199930 -0.803259 0.145056
C -6.139180 1.618555 -0.194848
C -6.881551 0.426622 -0.030828
C 6.833401 1.663511 -0.054311
H -0.097474 1.367112 -0.121617
H 4.476973 -1.616182 0.364487
H 1.998233 2.704673 -0.283153
H 4.480822 2.706318 -0.247510
H -2.124459 -1.717232 0.304370
H -2.127695 1.374622 -0.142370
H -4.286392 -1.805339 0.295100
H -4.158622 2.506409 -0.309983
H -6.770856 -1.729534 0.272267
H -6.657291 2.573935 -0.331616
H -7.976599 0.452624 -0.039638
H 7.883044 1.342681 0.010304
H 6.650411 2.140183 -1.037302
H 6.614242 2.384581 0.757410


