%chk=000131338.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131338

0 1
 O   -3.666300      -3.177000      0.3791000    
 O   -1.810600       2.110400     -0.8959000    
 O    6.847900     -3.7900001E-02  6.7100003E-02
 N   -1.715900     -0.1048000     -0.2013000    
 N    3.181800      7.7100001E-02  0.3614000    
 C   0.7458000     -2.7100001E-02  0.1059000    
 C  -0.4208000     -0.3345000     -0.8285000    
 C    2.102600     -0.2460000     -0.5653000    
 C   -2.270400      -1.240700      0.5325000    
 C    4.480700     -0.1163000     -0.2670000    
 C   -3.164300      -2.077400     -0.3689000    
 C   -2.312600       1.155300     -0.3011000    
 C    5.602000      0.1798000      0.7161000    
 C   -3.622000       1.321800      0.3919000    
 C   -3.977900       2.517100      0.8739000    
 H   0.6719000     -0.6558000       1.002500    
 H   0.6695000       1.012200      0.4516000    
 H  -0.3737000      -1.371400      -1.181100    
 H  -0.3441000      0.3036000      -1.717200    
 H    2.168900      0.3920000      -1.454800    
 H    2.180400      -1.290100     -0.8921000    
 H   -2.828900     -0.8984000       1.410100    
 H   -1.453300      -1.853100      0.9330000    
 H    3.108600     -0.5099000       1.191900    
 H    4.589600      0.5390000      -1.140200    
 H    4.589700      -1.145400     -0.6326000    
 H   -4.010800      -1.499100     -0.7512000    
 H   -2.603800      -2.468500      -1.224400    
 H    5.564300       1.220400       1.055500    
 H    5.548000     -0.4804000       1.588300    
 H   -4.296600      0.4820000      0.4943000    
 H   -4.229100      -3.696400     -0.2202000    
 H    7.545400      0.1584000      0.7156000    
 H   -4.934400       2.639900       1.371000    
 H   -3.338800       3.389700      0.7946000    


%chk=000131338-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131338

0 1
O -3.647600 -3.237087 0.365997
O -1.743828 2.184932 -0.664660
O 6.980592 -0.082916 0.067999
N -1.717890 -0.077559 -0.120605
N 3.266864 -0.087215 0.352724
C 0.789471 -0.033848 0.146720
C -0.412470 -0.221808 -0.807764
C 2.131942 -0.233856 -0.582746
C -2.275434 -1.280306 0.528332
C 4.602540 -0.234538 -0.264625
C -3.259919 -2.034536 -0.384097
C -2.314472 1.187105 -0.111372
C 5.691964 0.166797 0.735390
C -3.650288 1.322295 0.561869
C -4.265685 2.530779 0.621224
H 0.713471 -0.756696 0.986843
H 0.757469 0.981127 0.580042
H -0.374596 -1.225195 -1.276436
H -0.369251 0.540487 -1.604749
H 2.238764 0.536955 -1.371475
H 2.126277 -1.227109 -1.104888
H -2.771984 -1.032340 1.481177
H -1.444302 -1.963004 0.779165
H 3.156069 -0.706776 1.168680
H 4.658928 0.439071 -1.139743
H 4.819354 -1.266066 -0.633922
H -4.139649 -1.395131 -0.608257
H -2.761370 -2.295655 -1.341805
H 5.567186 1.234651 1.006780
H 5.603504 -0.444479 1.662035
H -4.130768 0.442178 1.003087
H -4.297608 -3.766249 -0.159557
H 7.718228 0.238172 0.644159
H -5.241596 2.658351 1.102049
H -3.781113 3.407966 0.176928


