%chk=000007981.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007981

0 1
 O  -0.1483000      0.1163000     -0.5021000    
 O    1.050900       1.876500      0.3829000    
 C    2.954500     -0.7488000     -0.2000000    
 C    2.130300      0.2315000      -1.048800    
 C   -2.491700     -0.3246000     -0.2072000    
 C    3.530300     -6.5499999E-02   1.043000    
 C    2.086900      -1.937300      0.2185000    
 C   -1.335700      0.6066000      0.1291000    
 C   -3.798400      0.1489000      0.4230000    
 C   0.9800000      0.8560000     -0.2880000    
 C   -4.958600     -0.7597000      4.9300000E-02
 H    3.784400      -1.118500     -0.8142000    
 H    1.744700     -0.2607000      -1.950100    
 H    2.766100       1.050300      -1.407700    
 H   -2.251800      -1.340300      0.1314000    
 H   -2.597500     -0.3897000      -1.297400    
 H   -1.547200       1.618200     -0.2368000    
 H   -1.181200      0.6390000       1.214000    
 H    2.750200      0.2376000       1.748800    
 H    4.203800     -0.7480000       1.573000    
 H    4.107900      0.8226000      0.7663000    
 H    1.296300      -1.648700      0.9187000    
 H    1.621000      -2.409400     -0.6528000    
 H    2.700600      -2.696300      0.7162000    
 H   -4.023100       1.169900      9.3099996E-02
 H   -3.697300      0.1755000       1.514200    
 H   -5.107500     -0.7803000      -1.034900    
 H   -4.780300      -1.784100      0.3915000    
 H   -5.883900     -0.4029000      0.5126000    


%chk=000007981-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007981

0 1
O -0.245634 0.120963 -0.562158
O 1.034103 1.647455 0.644496
C 3.046937 -0.761659 -0.185461
C 2.116610 0.174443 -1.028003
C -2.633962 -0.258967 -0.298957
C 3.823349 0.011977 0.905210
C 2.265911 -1.954793 0.413089
C -1.453984 0.582808 0.186533
C -3.951078 0.135087 0.411383
C 0.962189 0.746851 -0.226256
C -5.150816 -0.713085 -0.062163
H 3.785409 -1.165579 -0.909254
H 1.709823 -0.386365 -1.886642
H 2.717630 1.021960 -1.406637
H -2.416524 -1.329406 -0.118035
H -2.746306 -0.134464 -1.393276
H -1.597376 1.661534 -0.012305
H -1.266781 0.457899 1.269524
H 3.135311 0.465285 1.640408
H 4.509443 -0.668065 1.443521
H 4.424872 0.829229 0.465771
H 1.541706 -1.612973 1.176321
H 1.702353 -2.502737 -0.364161
H 2.958890 -2.663636 0.902556
H -4.162062 1.208623 0.230229
H -3.827920 0.021862 1.507697
H -5.317644 -0.592677 -1.149000
H -4.978062 -1.787937 0.133747
H -6.080988 -0.419533 0.457421


