%chk=000042437.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042437

0 1
 O  -1.4000000E-03  -1.792400      0.2464000    
 O   -3.566900      9.8999999E-02  0.3337000    
 O    4.610200       1.229300      4.3900002E-02
 O   -2.822600       2.031100     -0.7019000    
 C   -1.258200      -1.234200     -0.1907000    
 C   -1.333900      0.2668000     -0.1642000    
 C    1.041900      0.3941000      1.3900000E-02
 C    1.108400     -0.9942000      0.1696000    
 C  -0.2562000       1.050000     -6.7500003E-02
 C   -1.553000      -1.792200      -1.582700    
 C    2.225800       1.139200     -2.7100001E-02
 C    2.345300      -1.630700      0.2946000    
 C   -2.642700      0.9230000     -0.2219000    
 C    3.461800      0.4999000      8.5600004E-02
 C    3.521100     -0.8831000      0.2477000    
 C   -4.906300      0.6035000      0.3512000    
 C   -5.811500     -0.4235000      0.9973000    
 C    5.838200      0.5145000      0.1720000    
 H   -1.989400      -1.654200      0.5090000    
 H  -0.3024000       2.132700     -4.3699998E-02
 H   -2.545300      -1.497000      -1.938000    
 H  -0.8082000      -1.451000      -2.311000    
 H   -1.501100      -2.886600      -1.572700    
 H    2.193200       2.220400     -0.1437000    
 H    2.398500      -2.708300      0.4261000    
 H    4.446100      -1.441100      0.3460000    
 H   -4.937200       1.537300      0.9237000    
 H   -5.237300      0.7953000     -0.6755000    
 H   -6.845900     -6.9899999E-02   1.026800    
 H   -5.776200      -1.369000      0.4460000    
 H   -5.481900     -0.6390000       2.019100    
 H    5.985400     -0.1849000     -0.6580000    
 H    5.918500      2.3600001E-02   1.147900    
 H    6.647500       1.250000      0.1171000    


%chk=000042437-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042437

0 1
O -0.013297 -1.752947 0.664204
O -3.727069 0.060421 0.263245
O 4.683711 1.209498 -0.284756
O -2.844142 2.223494 0.178900
C -1.294460 -1.240929 0.068949
C -1.359479 0.280889 0.136030
C 1.098622 0.369660 0.069107
C 1.151198 -1.027769 0.377843
C -0.203732 1.019197 0.071902
C -1.433826 -1.765600 -1.373261
C 2.308472 1.074188 -0.141647
C 2.390230 -1.681900 0.499561
C -2.663595 0.977714 0.192852
C 3.550969 0.410739 -0.045244
C 3.592550 -0.970348 0.284855
C -5.093267 0.657540 0.339544
C -6.076192 -0.501628 0.469039
C 5.994669 0.569176 -0.174227
H -2.066856 -1.692768 0.709720
H -0.269465 2.113571 0.056794
H -2.421857 -1.479512 -1.775406
H -0.651994 -1.340284 -2.027048
H -1.352535 -2.866270 -1.386536
H 2.295641 2.143594 -0.376588
H 2.406518 -2.744140 0.760602
H 4.545311 -1.500181 0.375067
H -5.125793 1.341050 1.207341
H -5.261191 1.257797 -0.573264
H -7.108420 -0.110829 0.527938
H -6.010435 -1.176541 -0.401716
H -5.875018 -1.088825 1.381371
H 6.108421 -0.250758 -0.910739
H 6.168617 0.176301 0.847069
H 6.721994 1.364802 -0.392500


