%chk=000041597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041597

0 1
 O    2.012800      0.3420000      0.1138000    
 O   -4.999000      0.7207000     -8.2099997E-02
 O    1.151600      -1.769800      0.2822000    
 N    5.696100      0.4471000      0.2091000    
 N  -0.2205000      0.1164000      8.2199998E-02
 C    6.606500       1.514000      0.6484000    
 C    6.125200     -0.1215000      -1.076400    
 C    8.036100      0.9918000      0.8005000    
 C    7.538900     -0.6969000     -0.9809000    
 C    8.532200      0.3504000     -0.4902000    
 C    4.326100      0.9504000      0.1140000    
 C    3.327400     -0.1932000      0.1927000    
 C   0.9795000     -0.5622000      0.1703000    
 C   -7.347800       1.195000     -0.1993000    
 C   -8.757900      0.6128000     -0.1652000    
 C   -6.288600      0.1111000     -5.7900000E-02
 C   -1.527700     -0.4211000      9.9600002E-02
 C   -3.921400     -0.1051000      1.6300000E-02
 C   -2.631600      0.4255000     -1.0000000E-03
 C   -9.813200       1.702700     -0.2634000    
 C   -1.713700      -1.798600      0.2177000    
 C   -4.107400      -1.482500      0.1344000    
 C   -3.003500      -2.329300      0.2352000    
 H    6.284800       1.902200       1.622500    
 H    6.592900       2.353800     -5.9000000E-02
 H    6.094400      0.6380000      -1.869200    
 H    5.465300     -0.9383000      -1.386000    
 H    8.702400       1.814200       1.084300    
 H    8.073500      0.2548000       1.612800    
 H    7.541600      -1.553200     -0.2945000    
 H    7.853200      -1.072300      -1.961300    
 H    9.514000     -0.1081000     -0.3296000    
 H    8.658500       1.123300      -1.258300    
 H    4.164200       1.552200     -0.7901000    
 H    4.104900       1.623900      0.9536000    
 H    3.442900     -0.7306000       1.142000    
 H    3.460600     -0.8992000     -0.6333000    
 H   -7.221600       1.930900      0.6049000    
 H   -7.185500       1.744400      -1.135100    
 H   -8.889800     -9.2900001E-02 -0.9937000    
 H   -8.908200      5.2800000E-02  0.7651000    
 H   -6.397100     -0.5857000     -0.8986000    
 H   -6.445200     -0.4062000      0.8970000    
 H  -0.1597000       1.127700     -6.3999998E-03
 H   -2.494300       1.500400     -9.3300000E-02
 H   -9.711300       2.264100      -1.197700    
 H   -10.81540       1.263400     -0.2387000    
 H   -9.730000       2.406000      0.5713000    
 H  -0.9084000      -2.515200      0.3000000    
 H   -5.078700      -1.964400      0.1563000    
 H   -3.148400      -3.401900      0.3275000    


%chk=000041597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041597

0 1
O 1.971653 0.214743 0.156727
O -4.991905 0.525337 -0.066882
O 1.219782 -2.006789 0.383634
N 5.696326 0.549886 0.107370
N -0.253722 -0.157543 0.144020
C 6.598236 1.581073 0.681945
C 6.168632 0.096600 -1.226818
C 8.033844 1.036404 0.828734
C 7.590142 -0.494700 -1.141481
C 8.571385 0.531394 -0.529998
C 4.271303 0.955505 0.103125
C 3.371925 -0.277672 0.256401
C 0.978632 -0.782710 0.242906
C -7.290344 1.260958 -0.227868
C -8.788739 0.877627 -0.220484
C -6.385486 0.042188 -0.037922
C -1.542505 -0.757778 0.186698
C -3.968280 -0.424109 0.083295
C -2.657304 0.101965 0.045820
C -9.710375 2.100445 -0.414840
C -1.734511 -2.155602 0.365565
C -4.179250 -1.814622 0.261892
C -3.050977 -2.654944 0.399660
H 6.202912 1.875334 1.672070
H 6.621811 2.504329 0.042962
H 6.168372 0.949510 -1.957848
H 5.467819 -0.664571 -1.615715
H 8.687774 1.830734 1.237566
H 8.022734 0.201595 1.555865
H 7.560833 -1.403526 -0.510115
H 7.922514 -0.798437 -2.152882
H 9.575576 0.083495 -0.407673
H 8.682231 1.391143 -1.223373
H 3.985011 1.511680 -0.822320
H 4.087330 1.633020 0.956769
H 3.523218 -0.763277 1.235537
H 3.543742 -1.028467 -0.535306
H -7.083913 1.992157 0.577182
H -7.032078 1.754542 -1.184469
H -8.985036 0.136411 -1.022109
H -9.037992 0.376334 0.737137
H -6.539903 -0.697360 -0.851794
H -6.585554 -0.455050 0.934665
H -0.211546 0.857255 0.028983
H -2.533809 1.181935 -0.093809
H -9.506224 2.601842 -1.379468
H -10.775909 1.807179 -0.404886
H -9.556325 2.844634 0.388859
H -0.872255 -2.815209 0.472692
H -5.185483 -2.240013 0.294380
H -3.204615 -3.731078 0.538103


