%chk=000041402.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041402

0 1
 O   -1.967500      -1.275600     -0.1406000    
 O   -4.639400     -0.9013000     -0.4513000    
 N   0.2982000     -0.3772000     -0.2873000    
 C  -0.1273000      0.9360000      0.2109000    
 C    1.691300     -0.6399000      6.6000000E-02
 C   -1.609800       1.124900      3.2600001E-02
 C  -0.5912000      -1.403200      0.2666000    
 C    2.622500      0.3897000     -0.5749000    
 C   -2.445500      1.0100000E-02 -0.1152000    
 C   -2.174300       2.405600      5.3599998E-02
 C   -3.822000      0.1746000     -0.2771000    
 C    4.066300      0.1166000     -0.2361000    
 C   -3.551700       2.568900     -9.8800004E-02
 C   -4.373700       1.455100     -0.2674000    
 C    4.620700      0.6923000      0.8971000    
 C    4.816200     -0.7056000      -1.063600    
 C    5.956400      0.4402000       1.210200    
 C    6.151900     -0.9579000     -0.7505000    
 C   -5.670900      -1.094400      0.5143000    
 C    6.721900     -0.3851000      0.3865000    
 C   -5.972000      -2.573900      0.6250000    
 H   0.3616000       1.731600     -0.3609000    
 H   0.1124000       1.064100       1.274600    
 H    1.827300     -0.6494000       1.156200    
 H    1.973100      -1.638500     -0.2936000    
 H  -0.2735000      -2.390800     -8.7200001E-02
 H  -0.5585000      -1.429700       1.364600    
 H    2.402600       1.410800     -0.2435000    
 H    2.495600      0.3935000      -1.665800    
 H   -1.545000       3.282000      0.1850000    
 H   -3.983700       3.565400     -8.9199997E-02
 H   -5.442300       1.602300     -0.3984000    
 H    4.032500       1.334400       1.546600    
 H    4.380700      -1.157800      -1.950100    
 H    6.400200      0.8856000       2.095800    
 H    6.747900      -1.600900      -1.391600    
 H   -5.365700     -0.7144000       1.497300    
 H   -6.567800     -0.5557000      0.1898000    
 H    7.761700     -0.5818000      0.6304000    
 H   -6.768900      -2.757700       1.351000    
 H   -6.277700      -2.979100     -0.3453000    
 H   -5.078400      -3.126600      0.9333000    


%chk=000041402-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041402

0 1
O -1.773738 -1.242032 0.561156
O -4.409677 -1.215113 0.102166
N 0.389721 -0.165348 0.457697
C -0.132962 1.202293 0.660238
C 1.848575 -0.321658 0.606404
C -1.649598 1.227632 0.494889
C -0.426900 -1.146637 1.161622
C 2.640092 0.324511 -0.565573
C -2.381179 0.018824 0.416699
C -2.337120 2.461971 0.378968
C -3.791441 0.038398 0.183157
C 4.129906 0.041496 -0.449797
C -3.727041 2.487963 0.167628
C -4.457050 1.278868 0.061052
C 4.973808 0.884805 0.318819
C 4.701019 -1.100799 -1.068834
C 6.349858 0.597416 0.465229
C 6.076459 -1.392535 -0.926492
C -5.860858 -1.239627 -0.162322
C 6.906393 -0.544068 -0.157185
C -6.268071 -2.709209 -0.226465
H 0.316402 1.874370 -0.092977
H 0.152422 1.606604 1.667775
H 2.223614 0.106173 1.570246
H 2.079323 -1.403706 0.623852
H 0.010326 -2.151351 1.062556
H -0.579796 -0.897932 2.242720
H 2.465700 1.416988 -0.569924
H 2.229472 -0.079483 -1.508486
H -1.770899 3.399209 0.439369
H -4.251760 3.444629 0.074953
H -5.536364 1.313902 -0.111286
H 4.551227 1.777662 0.797255
H 4.064135 -1.759533 -1.672796
H 6.987161 1.263025 1.058724
H 6.501082 -2.275540 -1.417747
H -6.395569 -0.708132 0.652550
H -6.071466 -0.720009 -1.120321
H 7.973753 -0.766887 -0.048252
H -7.352494 -2.795682 -0.422739
H -5.721283 -3.227804 -1.032066
H -6.040984 -3.216455 0.726536


