%chk=000003259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003259

0 1
 I    2.220300      -4.338700     -0.7545000    
 I   -2.224700      -4.336400     -0.7550000    
 I    5.518100      0.4889000      0.8980000    
 I   -5.518500      0.4943000      0.8963000    
 O   1.9999999E-04   1.401100       1.620000    
 O  -1.3000000E-03  -2.158500     -0.3660000    
 O   1.7000000E-03   3.600500       2.342300    
 O    4.713700      -2.505600      6.0000003E-04
 O   -4.716200      -2.501600      2.3000001E-03
 C   9.9999997E-05  0.6732000      0.3510000    
 C   1.0000000E-03   1.793800     -0.6382000    
 C    1.258400     -0.1700000      0.2894000    
 C   -1.259000     -0.1686000      0.2888000    
 C   1.6000000E-03   3.006400      2.7400000E-02
 C    1.179700      -1.517700     -7.9700001E-02
 C   -1.181700      -1.516500     -7.9899997E-02
 C   1.3000000E-03   2.763500       1.462000    
 C   1.8000000E-03   1.759800      -2.023900    
 C    2.525900      0.3728000      0.5653000    
 C   -2.526000      0.3756000      0.5642000    
 C   3.0000000E-03   4.221700     -0.6320000    
 C    2.334500      -2.300800     -0.1815000    
 C   -2.337300      -2.298500     -0.1815000    
 C    3.677500     -0.4105000      0.4706000    
 C   -3.678500     -0.4065000      0.4695000    
 C   3.0000000E-03   2.972900      -2.718700    
 C    3.581900      -1.747000      9.5299996E-02
 C   -3.584100      -1.743200      9.4800003E-02
 C   3.7000000E-03   4.195700      -2.026800    
 H    2.605800       1.419700      0.8501000    
 H   -2.604900       1.422700      0.8489000    
 H   1.4000000E-03  0.8188000      -2.563700    
 H   3.5999999E-03   5.163300     -9.4800003E-02
 H   3.5000001E-03   2.971500      -3.805400    
 H   4.6999999E-03   5.128100      -2.584700    
 H    4.461000      -3.404700     -0.2708000    
 H   -5.481100      -1.945900      0.2307000    


%chk=000003259-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003259

0 1
I 2.252594 -4.565593 0.303937
I -2.307711 -4.546167 0.348299
I 5.592884 0.554740 -0.351261
I -5.603532 0.613274 -0.217628
O 0.016286 1.159181 1.700130
O -0.011386 -2.353114 0.322208
O 0.021117 3.267968 2.713639
O 4.828816 -2.520263 -0.051175
O -4.785649 -2.592668 0.063917
C 0.002868 0.596602 0.248886
C -0.001013 1.875143 -0.587973
C 1.253500 -0.244637 0.092359
C -1.258449 -0.235729 0.117560
C 0.006207 3.008860 0.247999
C 1.195865 -1.654468 0.189528
C -1.218880 -1.648946 0.213108
C 0.015453 2.584097 1.675896
C -0.008511 2.014919 -1.987121
C 2.522985 0.363374 -0.062542
C -2.520582 0.389117 -0.007688
C 0.005671 4.318041 -0.274200
C 2.372504 -2.435669 0.148495
C -2.398373 -2.429416 0.197805
C 3.697633 -0.397619 -0.113043
C -3.696534 -0.369599 -0.030107
C -0.009197 3.325137 -2.524804
C 3.640127 -1.816324 -0.000980
C -3.657971 -1.791337 0.077491
C -0.002395 4.466598 -1.679194
H 2.583620 1.452661 -0.133694
H -2.569424 1.478924 -0.074371
H -0.011742 1.138833 -2.643922
H 0.012577 5.180425 0.400034
H -0.013633 3.461934 -3.611599
H -0.002004 5.467311 -2.123731
H 4.662869 -3.500105 0.041158
H -5.612491 -2.041882 -0.017017


