%chk=000158024.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158024

0 1
 O   -1.344900       3.806700     -0.1716000    
 O   -4.443900      0.7836000     -0.4488000    
 O   0.7831000      -2.294000      0.3103000    
 O    4.287100      0.1859000      -1.594200    
 O    5.211300      0.2349000      0.6309000    
 O   0.8540000       3.193500      0.1217000    
 O  -0.8186000      -4.456300      0.1876000    
 C  -0.3116000      0.3584000      8.0499999E-02
 C  -0.9277000       1.590400     -3.9900001E-02
 C   -2.286400       1.729400     -0.2135000    
 C   -1.115900     -0.7910000      2.1400001E-02
 C   -2.524700     -0.6620000     -0.1583000    
 C   -3.103300      0.6155000     -0.2754000    
 C   -2.634400       3.158600     -0.3079000    
 C    1.130500      0.3277000      0.2610000    
 C  -0.5549000      -2.072200      0.1362000    
 C  -0.3199000       2.911400     -1.2100000E-02
 C   -3.314500      -1.820600     -0.2158000    
 C    1.961700      0.2704000     -0.8565000    
 C    1.663500      0.3564000       1.558500    
 C   -1.360000      -3.210000      7.6300003E-02
 C   -2.735200      -3.084700     -9.9200003E-02
 C    3.323200      0.2429000     -0.6352000    
 C    3.851000      0.2706000      0.6355000    
 C    3.046200      0.3276000       1.755000    
 C    5.480900      0.1823000     -0.7850000    
 C   -5.239300      0.9077000      0.7285000    
 C    1.442800      -3.063100     -0.6900000    
 H   -3.058600       3.424900      -1.279600    
 H   -3.277800       3.493300      0.5097000    
 H   -4.391300      -1.765400     -0.3580000    
 H    1.564400      0.2470000      -1.866100    
 H    1.009600      0.4008000       2.426700    
 H   -3.365100      -3.969000     -0.1479000    
 H    3.466000      0.3491000       2.754200    
 H    6.092800       1.049600      -1.058300    
 H    6.048000     -0.7307000      -1.000500    
 H   -4.977100       1.818500       1.275400    
 H   -5.117800      3.5599999E-02   1.378600    
 H   -6.288100      0.9732000      0.4265000    
 H  -5.5300001E-02  -4.398300      0.7868000    
 H    1.633300      -4.079100     -0.3333000    
 H    2.420800      -2.612500     -0.8800000    
 H   0.8954000      -3.086000      -1.639200    


%chk=000158024-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158024

0 1
O -1.295711 3.727022 -0.847202
O -4.536025 0.718349 -0.364586
O 0.672604 -2.727955 0.256991
O 4.600420 0.819067 -1.345916
O 5.374555 0.132863 0.814962
O 0.937000 3.187972 -0.506274
O -1.104526 -4.636041 0.747106
C -0.255460 0.210500 -0.073793
C -0.864622 1.443068 -0.395486
C -2.277284 1.601452 -0.506965
C -1.135347 -0.942247 0.069725
C -2.587186 -0.761739 0.007380
C -3.133077 0.538445 -0.270841
C -2.609088 3.036865 -0.835916
C 1.218897 0.142049 0.181551
C -0.685397 -2.298673 0.260168
C -0.239286 2.796402 -0.566990
C -3.475704 -1.868562 0.203356
C 2.144821 0.549250 -0.825823
C 1.691028 -0.276788 1.453118
C -1.589349 -3.352117 0.507681
C -2.994862 -3.144012 0.479039
C 3.498276 0.511564 -0.502066
C 3.957135 0.102627 0.768250
C 3.072865 -0.300419 1.771929
C 5.774038 0.833804 -0.437134
C -5.198047 1.044429 0.919007
C 1.270531 -2.871920 -1.095821
H -3.071108 3.156518 -1.831605
H -3.245931 3.532926 -0.082410
H -4.549620 -1.688632 0.104917
H 1.808249 0.896807 -1.804963
H 0.967934 -0.587171 2.213342
H -3.659047 -3.997170 0.641351
H 3.429037 -0.620266 2.754007
H 6.030155 1.882623 -0.193170
H 6.601235 0.281971 -0.907507
H -4.818892 2.000169 1.329543
H -5.040541 0.239142 1.661791
H -6.268835 1.136709 0.683530
H -0.108277 -4.563841 0.789454
H 0.661370 -3.555988 -1.717141
H 2.274138 -3.290474 -0.927275
H 1.358233 -1.887579 -1.584314


