%chk=000095152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095152

0 1
 O    1.581000      0.7270000     -0.3764000    
 O    1.072400      -1.295500      0.6849000    
 C   -3.088400     -0.2358000      0.1324000    
 C   -3.470300       1.087500     -8.9000002E-02
 C   -4.054100      -1.240900      0.1845000    
 C   -1.683200     -0.5673000      0.3089000    
 C    2.935000      0.4177000     -0.2242000    
 C   -4.817900       1.405600     -0.2581000    
 C   -5.401800     -0.9227000      1.5400000E-02
 C   -5.783500      0.4006000     -0.2059000    
 C    3.568200     -0.2885000      -1.222600    
 C    3.583000      0.8307000      0.9186000    
 C  -0.6450000      0.2024000     -8.6300001E-02
 C    4.919800     -0.5979000      -1.070200    
 C    4.934600      0.5213000       1.070700    
 C    5.602900     -0.1929000      7.6300003E-02
 C   0.7472000     -0.2515000      0.1411000    
 H   -2.756600       1.905600     -0.1175000    
 H   -3.775800      -2.278200      0.3548000    
 H   -1.485100      -1.522700      0.7902000    
 H   -5.116400       2.436400     -0.4258000    
 H   -6.153900      -1.705200      5.6000002E-02
 H    3.036700     -0.6030000      -2.115300    
 H    3.063000       1.387100       1.692100    
 H   -6.832900      0.6484000     -0.3364000    
 H  -0.7756000       1.151400     -0.5939000    
 H    5.440200      -1.153900      -1.844500    
 H    5.466700      0.8367000       1.963500    
 H    6.655300     -0.4337000      0.1949000    


%chk=000095152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095152

0 1
O 1.630819 0.228809 -0.359035
O 0.889006 -1.002192 1.525105
C -3.209561 -0.114759 0.216624
C -3.562859 0.642855 -0.939193
C -4.257251 -0.635226 1.030520
C -1.820394 -0.382301 0.606845
C 3.039191 0.107176 -0.174150
C -4.913802 0.868826 -1.263510
C -5.610621 -0.408597 0.705714
C -5.944354 0.344975 -0.443353
C 3.788397 0.749644 -1.188007
C 3.678274 -0.570811 0.892124
C -0.683288 0.030691 -0.035375
C 5.196448 0.716767 -1.139507
C 5.092523 -0.590848 0.921695
C 5.856287 0.045168 -0.082036
C 0.643075 -0.325571 0.497289
H -2.779129 1.054937 -1.584046
H -3.999326 -1.220023 1.921918
H -1.674402 -0.980413 1.518825
H -5.170342 1.452548 -2.154375
H -6.401883 -0.816668 1.343705
H 3.254764 1.262472 -1.993969
H 3.091057 -1.063711 1.666948
H -6.994470 0.523326 -0.699504
H -0.694616 0.631020 -0.949432
H 5.776291 1.213681 -1.924781
H 5.595201 -1.112422 1.743796
H 6.950464 0.019351 -0.042637


