%chk=000080420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080420

0 1
 O  -0.4740000     -0.1052000      0.1015000    
 O   -1.641900      -2.025200      0.6003000    
 O   -4.069300      -1.910000     -0.6151000    
 C    4.404400      0.4869000     -9.1899998E-02
 C    3.262500     -0.5063000      0.1344000    
 C    5.793900     -0.1457000      2.7200000E-02
 C    1.901500      0.1713000     -1.8999999E-02
 C    6.933500      0.8293000     -0.2713000    
 C   0.7582000     -0.7982000      0.2452000    
 C    8.286300      0.1362000     -0.2102000    
 C   -1.601900     -0.8403000      0.3075000    
 C   -2.815800     -4.6999999E-03  0.1267000    
 C   -3.986400     -0.5810000     -0.3246000    
 C   -2.728000       1.342100      0.4205000    
 C   -5.115400      0.2217000     -0.4889000    
 C   -3.857100       2.144600      0.2562000    
 C   -5.050700       1.584400     -0.1985000    
 H    4.322200       1.308000      0.6310000    
 H    4.299600      0.9319000      -1.089300    
 H    3.350400     -0.9389000       1.138300    
 H    3.345600      -1.331900     -0.5826000    
 H    5.857200     -0.9943000     -0.6656000    
 H    5.918500     -0.5535000       1.038000    
 H    1.797300      0.5919000      -1.026900    
 H    1.820900       1.021200      0.6703000    
 H    6.913500       1.654500      0.4497000    
 H    6.798400       1.265000      -1.268000    
 H   0.8337000      -1.199300       1.262800    
 H   0.7967000      -1.627500     -0.4709000    
 H    8.464700     -0.2884000      0.7830000    
 H    9.087600      0.8505000     -0.4235000    
 H    8.347100     -0.6721000     -0.9460000    
 H   -1.816700       1.802800      0.7901000    
 H   -6.052000     -0.2011000     -0.8424000    
 H   -3.808000       3.205100      0.4856000    
 H   -5.929800       2.209300     -0.3256000    
 H   -4.971700      -2.113900     -0.9152000    


%chk=000080420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080420

0 1
O -0.489656 -0.095171 -0.030187
O -1.595188 -2.140668 0.083544
O -4.340680 -1.988568 -0.079643
C 4.480558 0.508535 -0.075041
C 3.314130 -0.501690 0.007434
C 5.871356 -0.161020 -0.004232
C 1.925595 0.177432 -0.050489
C 7.040192 0.847088 -0.089072
C 0.793836 -0.848117 0.019780
C 8.426104 0.170901 -0.011892
C -1.655742 -0.891030 0.014847
C -2.879202 -0.038419 -0.025906
C -4.192412 -0.600890 -0.064848
C -2.759894 1.380024 -0.020103
C -5.330446 0.247091 -0.093657
C -3.888062 2.220354 -0.047685
C -5.181450 1.646541 -0.084195
H 4.386317 1.245751 0.749560
H 4.398869 1.086160 -1.019468
H 3.402781 -1.085181 0.947552
H 3.405263 -1.232961 -0.822650
H 5.966430 -0.900567 -0.826856
H 5.954586 -0.736772 0.941465
H 1.830626 0.760891 -0.986761
H 1.822368 0.893100 0.788160
H 6.942402 1.587418 0.731296
H 6.958984 1.420075 -1.035450
H 0.821437 -1.437706 0.955653
H 0.820399 -1.557906 -0.828349
H 8.544164 -0.383376 0.938472
H 9.243631 0.912654 -0.073984
H 8.561556 -0.551349 -0.839112
H -1.752415 1.801690 0.007617
H -6.333766 -0.198541 -0.123943
H -3.764724 3.307670 -0.040554
H -6.071003 2.285544 -0.105708
H -5.301943 -2.229788 -0.112795


