%chk=000004932.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004932

0 1
 O    3.014200     -6.9300003E-02  0.3275000    
 O    4.731000       2.067500      0.7942000    
 O   0.6801000     -0.1078000       1.626200    
 N    1.391500       2.936500     -0.5482000    
 C    3.720900       2.160600     -0.2145000    
 C    2.491500       2.833100      0.4009000    
 C    3.438800      0.7589000     -0.7507000    
 C   0.2168000       3.528000      7.8100003E-02
 C   -1.091400      -1.284500      0.4917000    
 C   -1.954900     -2.2900000E-02  0.5605000    
 C  -0.9297000       3.619000     -0.9258000    
 C    1.423700      -1.871300      0.2598000    
 C    2.702000      -1.366700      2.0700000E-02
 C   0.3857000      -1.032300      0.8425000    
 C   -3.393700     -0.3132000      0.2195000    
 C    1.125400      -3.195600     -6.1200000E-02
 C    3.681900      -2.186600     -0.5393000    
 C   -2.163000       4.253600     -0.3018000    
 C    2.105300      -4.015100     -0.6214000    
 C   -3.828300     -0.2264000      -1.103200    
 C   -4.291100     -0.6695000       1.226300    
 C    3.383400      -3.510700     -0.8605000    
 C   -5.160000     -0.4954000      -1.419100    
 C   -5.622900     -0.9386000      0.9103000    
 C   -6.057200     -0.8515000     -0.4124000    
 H    4.115700       2.788300      -1.022300    
 H    2.181600       2.273400       1.292500    
 H    2.781600       3.829500      0.7595000    
 H    4.366900      0.3615000      -1.177200    
 H    2.674800      0.7770000      -1.536500    
 H    1.678900       3.496100      -1.350400    
 H  -0.1028000       2.916200      0.9304000    
 H   0.4526000       4.531100      0.4541000    
 H   -1.149600      -1.694400     -0.5238000    
 H   -1.470200      -2.042700       1.187700    
 H   -1.555800      0.7334000     -0.1231000    
 H   -1.898400      0.4268000       1.560100    
 H  -0.6227000       4.224000      -1.788000    
 H   -1.185300       2.626100      -1.310900    
 H   0.1449000      -3.623400      0.1274000    
 H    5.518000       1.669200      0.3845000    
 H    4.689000      -1.819700     -0.7157000    
 H   -2.970000       4.317100      -1.038500    
 H   -1.947400       5.266000      5.4200001E-02
 H   -2.522700       3.659600      0.5446000    
 H   -3.138100      4.8999999E-02  -1.896300    
 H   -3.964000     -0.7424000       2.260100    
 H    1.874700      -5.047700     -0.8672000    
 H    4.147700      -4.150600      -1.291800    
 H   -5.498100     -0.4280000      -2.448900    
 H   -6.321600      -1.216500       1.694000    
 H   -7.094100      -1.061200     -0.6584000    


%chk=000004932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004932

0 1
O 2.182456 0.230815 0.350546
O 3.207889 1.604142 2.793455
O -0.507050 0.875836 -0.012746
N 2.593498 3.547953 -0.326217
C 3.475442 1.998098 1.401555
C 2.360960 2.996277 1.027285
C 3.530424 0.813412 0.428353
C 1.371933 3.861329 -1.107976
C -1.834610 -1.146591 0.258538
C -2.870552 -0.257490 0.988527
C 1.726001 4.249566 -2.557200
C 0.568443 -1.176626 -0.735659
C 1.939100 -0.789894 -0.555279
C -0.567068 -0.380354 -0.150702
C -4.121412 -1.045035 1.348769
C 0.295515 -2.307329 -1.550502
C 2.970954 -1.484513 -1.239089
C 0.474682 4.604267 -3.389630
C 1.320358 -3.007804 -2.219670
C -5.218104 -1.119850 0.450822
C -4.205584 -1.756813 2.573810
C 2.658551 -2.581094 -2.069157
C -6.363809 -1.886116 0.763664
C -5.348904 -2.524029 2.892555
C -6.432834 -2.593342 1.986600
H 4.469803 2.499281 1.331597
H 1.405015 2.446691 1.026565
H 2.308762 3.765464 1.828509
H 4.260002 0.048411 0.773564
H 3.821235 1.197999 -0.568690
H 3.245010 4.344807 -0.315953
H 0.736339 2.956395 -1.105495
H 0.764670 4.682886 -0.650753
H -2.304817 -1.587033 -0.644814
H -1.544051 -2.009846 0.889485
H -3.117105 0.601597 0.339266
H -2.397353 0.165653 1.893342
H 2.422608 5.114815 -2.550227
H 2.272703 3.407412 -3.023214
H -0.742792 -2.624857 -1.690570
H 3.840385 0.891224 3.063628
H 4.014301 -1.179759 -1.120272
H 0.743409 4.865433 -4.429492
H -0.064048 5.465988 -2.952009
H -0.229240 3.751781 -3.424211
H -5.176112 -0.565655 -0.495655
H -3.371716 -1.701706 3.285219
H 1.077971 -3.863971 -2.856775
H 3.465760 -3.106241 -2.592097
H -7.202767 -1.926864 0.059291
H -5.397004 -3.062023 3.846395
H -7.321649 -3.185199 2.232917


