%chk=000042341.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042341

0 1
 O  -0.7256000       3.042600     -0.1986000    
 O    2.690300       2.189100     -0.8607000    
 O   -4.399900      -1.992500      0.3309000    
 O   -2.478200      -2.990100     -3.0999999E-02
 N   0.8950000      0.7361000     -0.5649000    
 N    2.918200      -2.383200     -0.1186000    
 N   -3.165600      -1.950200      0.1104000    
 C    2.191800      -1.188300      0.3138000    
 C    1.660800     -0.4533000     -0.9192000    
 C  -0.4963000      0.6243000     -0.2870000    
 C   0.6690000       3.108600      2.7400000E-02
 C    1.519700       1.979200     -0.5385000    
 C    3.129700     -0.3143000       1.145600    
 C   -1.255600       1.786000     -0.1192000    
 C   -1.150100     -0.6157000     -0.2149000    
 C   0.9413000       3.266200       1.522400    
 C    2.050500      -3.245600     -0.9190000    
 C    3.437300      -3.111000       1.038200    
 C   -2.635800       1.717100      9.6199997E-02
 C   -2.526600     -0.6854000      1.7000001E-02
 C   -3.269900      0.4805000      0.1697000    
 H    1.351200      -1.469500      0.9618000    
 H    2.513400     -0.1396000      -1.537400    
 H    1.037400      -1.050900      -1.588600    
 H    1.006600       4.023200     -0.4760000    
 H    4.041300     -5.5599999E-02  0.5949000    
 H    2.644000      0.6193000       1.443300    
 H    3.417000     -0.7815000       2.092900    
 H  -0.5910000      -1.537700     -0.3312000    
 H    2.008300       3.412600       1.718800    
 H   0.3882000       4.121500       1.924900    
 H   0.6151000       2.383200       2.083200    
 H    1.083600      -3.436400     -0.4394000    
 H    2.527600      -4.219900      -1.084900    
 H    1.891700      -2.853200      -1.927700    
 H    4.281900      -2.595100       1.505100    
 H    3.848800      -4.079800      0.7285000    
 H    2.667000      -3.308200       1.792900    
 H   -3.219900       2.626500      0.2122000    
 H   -4.341900      0.4649000      0.3476000    


%chk=000042341-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042341

0 1
O -0.753563 3.127800 -0.347624
O 2.764222 2.295804 -0.711261
O -4.375296 -2.081302 0.143525
O -2.305340 -3.035215 0.010332
N 0.942215 0.836889 -0.473423
N 2.724956 -2.506060 -0.159653
N -3.089073 -2.003161 0.037706
C 2.222490 -1.207883 0.380565
C 1.778996 -0.338908 -0.840428
C -0.460696 0.687015 -0.261101
C 0.675096 3.259836 0.069240
C 1.547720 2.100088 -0.430841
C 3.269087 -0.441242 1.212535
C -1.294294 1.850076 -0.221448
C -1.074840 -0.578144 -0.168619
C 0.769435 3.417174 1.597703
C 1.625615 -3.414635 -0.562326
C 3.706112 -3.224559 0.683249
C -2.697315 1.741255 -0.119160
C -2.478991 -0.663614 -0.056661
C -3.308405 0.479229 -0.036299
H 1.333825 -1.385847 1.042034
H 2.684054 0.048987 -1.334508
H 1.219769 -0.943156 -1.573598
H 1.018941 4.172749 -0.439935
H 4.190937 -0.270085 0.629196
H 2.867228 0.547834 1.491992
H 3.522791 -0.974146 2.144394
H -0.504587 -1.507112 -0.187959
H 1.818588 3.602886 1.886287
H 0.157328 4.275365 1.922153
H 0.414671 2.511418 2.120795
H 0.975477 -3.722376 0.294696
H 2.051529 -4.327546 -1.013159
H 0.978126 -2.950053 -1.325601
H 4.588643 -2.596792 0.879837
H 4.050529 -4.118574 0.133387
H 3.291091 -3.566842 1.664292
H -3.285667 2.662798 -0.107448
H -4.391104 0.363949 0.048034


