%chk=000044349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044349

0 1
 O   -3.096900       3.414600      0.7873000    
 C  -0.4605000     -0.1603000     -3.6100000E-02
 C   0.9568000     -0.3530000     -1.1000000E-02
 C   -1.362200      -1.259700      1.0200000E-02
 C  -0.9709000       1.150700     -0.1089000    
 C    1.858600      0.7465000     -5.7200000E-02
 C    1.467200      -1.663800      6.1500002E-02
 C   -2.782200      -1.025900     -1.7700000E-02
 C    3.278500      0.5126000     -2.9999999E-02
 C   -2.351800       1.367200     -0.1354000    
 C   -3.258600      0.3050000     -9.1300003E-02
 C  -9.2100002E-02   2.232400     -0.1546000    
 C  -0.7915000      -2.546800      8.2199998E-02
 C    3.754800     -0.8184000      4.2900000E-02
 C    1.287800       2.033500     -0.1292000    
 C    2.848100      -1.880500      8.7099999E-02
 C   0.5884000      -2.745600      0.1074000    
 C   -3.764300      -2.049300      2.3800001E-02
 C    4.260700       1.536000     -7.1300000E-02
 C   -4.638800      0.5723000     -0.1207000    
 C    5.134900      -1.085900      7.0900001E-02
 C   -2.858600       2.745700     -0.2113000    
 C   -5.133800      -1.771600     -5.9000002E-03
 C   -5.571400     -0.4591000     -7.8500003E-02
 C    5.630100       1.258000     -4.2700000E-02
 C    6.067600     -5.4600000E-02  2.8500000E-02
 H  -0.4371000       3.262000     -0.2133000    
 H   -1.410500      -3.439200      0.1210000    
 H    1.907400       2.925600     -0.1687000    
 H    3.225200      -2.902300      0.1431000    
 H   0.9641000      -3.765600      0.1636000    
 H   -3.482400      -3.097400      8.0799997E-02
 H    3.978900       2.584300     -0.1273000    
 H   -5.033300       1.584000     -0.1795000    
 H    5.498600      -2.110500      0.1267000    
 H   -3.009600       3.140600      -1.230700    
 H   -5.852500      -2.585100      2.7600000E-02
 H   -6.633800     -0.2369000     -0.1026000    
 H    6.349000       2.071300     -7.6200001E-02
 H    7.129800     -0.2776000      5.0999999E-02


%chk=000044349-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044349

0 1
O -2.331738 3.953696 -0.308746
C -0.463747 -0.113467 -0.052469
C 0.966767 -0.343327 -0.019529
C -1.371046 -1.227105 -0.042635
C -0.977945 1.244951 -0.108654
C 1.891576 0.751189 -0.027391
C 1.475907 -1.701959 0.020284
C -2.803765 -0.995003 -0.049640
C 3.322543 0.501611 0.011648
C -2.393561 1.486039 -0.163123
C -3.315987 0.362603 -0.100323
C -0.015314 2.323172 -0.119345
C -0.825175 -2.565053 -0.012083
C 3.801819 -0.868131 0.052397
C 1.347287 2.082296 -0.077969
C 2.863081 -1.936649 0.054215
C 0.536500 -2.793858 0.018968
C -3.735584 -2.085642 0.004481
C 4.300285 1.550276 0.011508
C -4.745861 0.538956 -0.053563
C 5.214491 -1.128886 0.089115
C -2.951637 2.844935 -0.346654
C -5.113385 -1.876880 0.022330
C -5.621367 -0.544753 0.001766
C 5.668930 1.269430 0.048214
C 6.134902 -0.083038 0.087118
H -0.395304 3.345267 -0.154290
H -1.497438 -3.425472 -0.014163
H 2.021767 2.943139 -0.085301
H 3.231776 -2.969619 0.082232
H 0.924207 -3.818932 0.042276
H -3.367935 -3.113576 0.042333
H 3.980517 2.595575 -0.016995
H -5.177646 1.541363 -0.037512
H 5.555175 -2.170520 0.118934
H -4.039837 2.876137 -0.569221
H -5.800977 -2.727970 0.065492
H -6.702141 -0.370687 0.039078
H 6.393275 2.091212 0.047411
H 7.210286 -0.288121 0.115304


