%chk=000066414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066414

0 1
 O    5.325800       1.612400      0.2298000    
 O   -4.509800       1.702700     -0.4056000    
 O   -5.366000     -0.8243000      0.3640000    
 C    3.026200      0.7287000      0.1210000    
 C    2.528900     -0.6573000     -0.3369000    
 C    1.077300     -0.9118000      6.8099998E-02
 C   0.1731000      0.1564000     -0.6187000    
 C    4.485600      0.6423000     -0.3650000    
 C    2.175600       1.795800     -0.5786000    
 C    3.619400      -1.605900      0.1531000    
 C   0.6712000       1.594700     -0.3130000    
 C    4.917000     -0.7907000      3.4000000E-03
 C   0.5912000      -2.306100     -0.3318000    
 C    2.981500      0.9619000       1.652800    
 C   -1.302800     -9.4300002E-02 -0.3209000    
 C  -0.8086000      -2.545900      0.2257000    
 C   -1.753400      -1.384700      3.4699999E-02
 C   -2.260000      0.9236000     -0.4790000    
 C   -3.121100      -1.608100      0.2726000    
 C   -3.616700      0.6855000     -0.2487000    
 C   -4.047200     -0.5788000      0.1319000    
 C   -4.787300       2.503800      0.7412000    
 H    2.564700     -0.6968000      -1.438600    
 H   0.9810000     -0.8297000       1.158400    
 H   0.2694000      2.2200000E-02  -1.707400    
 H    4.537900      0.7722000      -1.453500    
 H    2.342700       1.755200      -1.663000    
 H    2.474900       2.801400     -0.2595000    
 H    3.658400      -2.526400     -0.4381000    
 H    3.464800      -1.890100       1.199800    
 H   0.4364000       1.855200      0.7261000    
 H   0.1373000       2.321000     -0.9367000    
 H    5.503800     -0.8200000      0.9284000    
 H    5.549900      -1.207100     -0.7882000    
 H    1.261200      -3.085000      4.8700001E-02
 H   0.5796000      -2.401300      -1.425300    
 H    3.353000       1.963000       1.901100    
 H    1.970400      0.8914000       2.062300    
 H    3.598600      0.2451000       2.203600    
 H  -0.7346000      -2.744800       1.302500    
 H   -1.224000      -3.444300     -0.2467000    
 H    6.234800       1.430700     -6.3900001E-02
 H   -1.964400       1.920300     -0.7941000    
 H   -3.463400      -2.597800      0.5684000    
 H   -5.869400     -1.3100000E-02  0.1782000    
 H   -3.884100       3.030000       1.066100    
 H   -5.178500       1.890600       1.559200    
 H   -5.543600       3.244300      0.4668000    


%chk=000066414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066414

0 1
O 5.240268 1.780170 0.329111
O -4.764508 1.491535 0.175553
O -5.460801 -1.063799 0.623633
C 2.981681 0.736756 0.225100
C 2.496093 -0.623480 -0.369678
C 1.063354 -0.977838 0.065870
C 0.103660 0.145327 -0.441260
C 4.426611 0.754267 -0.339417
C 2.049249 1.854634 -0.295211
C 3.660379 -1.608434 -0.073555
C 0.560976 1.555082 0.037893
C 4.944030 -0.707636 -0.132319
C 0.573312 -2.341271 -0.463991
C 3.036170 0.751720 1.775866
C -1.365227 -0.182443 -0.120324
C -0.798176 -2.688846 0.150067
C -1.784563 -1.522274 0.121822
C -2.345143 0.850212 -0.111640
C -3.154290 -1.798248 0.369361
C -3.697008 0.562496 0.135118
C -4.111434 -0.775128 0.380231
C -4.445111 2.899258 -0.050445
H 2.462709 -0.485600 -1.476503
H 1.019346 -1.013382 1.175824
H 0.206213 0.144749 -1.553080
H 4.376415 0.979263 -1.429618
H 2.162657 1.934146 -1.397742
H 2.339964 2.834030 0.130816
H 3.698119 -2.434483 -0.805520
H 3.542065 -2.066370 0.926709
H 0.383935 1.645372 1.127343
H -0.058150 2.336628 -0.443185
H 5.505068 -0.752410 0.819548
H 5.631949 -1.018210 -0.940238
H 1.301250 -3.138215 -0.219126
H 0.498225 -2.296890 -1.570363
H 3.544671 1.671552 2.110973
H 2.028842 0.726218 2.224500
H 3.603726 -0.104470 2.181525
H -0.647577 -3.002324 1.204813
H -1.243280 -3.561194 -0.366738
H 6.145084 1.784298 -0.071861
H -2.039912 1.882948 -0.300379
H -3.489759 -2.824259 0.556445
H -5.969255 -0.210469 0.591429
H -4.016384 3.053076 -1.059772
H -3.737294 3.273510 0.714471
H -5.401450 3.436528 0.032644


