%chk=000147494.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147494

0 1
 O    4.286900      -2.360000      0.5628000    
 O    4.955000     -4.7600001E-02  0.1214000    
 O    3.338700       1.591400     -0.4958000    
 O  -0.1067000      -1.589400     -0.3590000    
 O   -1.098100       3.160700      0.1575000    
 O   -4.825800     -0.3778000      6.6000000E-02
 O   -1.688500      -3.205600     -0.1645000    
 O   -4.189700      -2.487500      0.5182000    
 C    3.139000      -1.509300      0.6579000    
 C    2.767500     -0.7962000     -0.5931000    
 C    4.487900      -1.033300       1.069700    
 C    3.873900      0.2759000     -0.7765000    
 C    1.589000      8.5199997E-02 -0.4345000    
 C    1.987900       1.406400     -0.3831000    
 C   0.2442000     -0.2348000     -0.3249000    
 C  -0.7201000      0.7601000     -0.1686000    
 C    1.078400       2.429400     -0.2082000    
 C  -0.2785000       2.099000     -9.8999999E-02
 C   -2.132100      0.3513000     -6.6299997E-02
 C   -2.457700     -0.9556000     -4.6999998E-02
 C   -3.198300       1.408200      4.8000002E-03
 C   -1.415200      -2.009900     -0.1832000    
 C   -4.485600      0.8585000     -0.5699000    
 C   -3.881300      -1.345700      0.1916000    
 C   -1.270800       3.526700       1.523600    
 H    2.372000      -1.738900       1.378000    
 H    2.693100      -1.461100      -1.459000    
 H    4.710000     -0.9077000       2.119700    
 H    4.263300      0.2786000      -1.801300    
 H    1.412000       3.460700     -0.1461000    
 H   -3.350100       1.708700       1.046700    
 H   -2.980300       2.283400     -0.6100000    
 H   -5.307800       1.560400     -0.3971000    
 H   -4.417700      0.6880000      -1.651300    
 H  -0.4080000       4.108600       1.862400    
 H   -2.164400       4.152000       1.602100    
 H   -1.397200       2.649200       2.166300    


%chk=000147494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147494

0 1
O 4.478837 -2.407572 0.125116
O 4.683941 -0.022528 0.750916
O 3.294255 1.683572 -0.223111
O -0.092664 -1.555375 -0.566877
O -1.350042 2.992981 0.700285
O -4.927279 -0.731634 0.080684
O -1.577572 -3.292162 -0.777051
O -4.091897 -2.803963 0.551899
C 3.093359 -1.792202 0.332281
C 2.795104 -0.694960 -0.690022
C 4.245160 -1.326173 1.146915
C 3.947155 0.362108 -0.462492
C 1.560803 0.122214 -0.368232
C 1.921129 1.451113 -0.093924
C 0.208620 -0.230257 -0.295505
C -0.813338 0.733083 0.019657
C 0.995256 2.449211 0.254367
C -0.365971 2.080764 0.316285
C -2.187922 0.262908 0.037525
C -2.482332 -1.103065 -0.124726
C -3.377785 1.196207 0.199983
C -1.466794 -2.096551 -0.487408
C -4.607480 0.600179 -0.486440
C -3.853479 -1.643062 0.171540
C -0.938205 4.359377 1.057527
H 2.306722 -2.474942 0.659827
H 2.797116 -1.100614 -1.715212
H 4.494231 -1.553765 2.183493
H 4.664812 0.518459 -1.277692
H 1.342152 3.458170 0.478772
H -3.582030 1.368076 1.275067
H -3.150998 2.185004 -0.226566
H -5.510402 1.204485 -0.309918
H -4.442094 0.493858 -1.576665
H -0.469488 4.871455 0.196796
H -1.871256 4.870024 1.334847
H -0.244722 4.347578 1.918360


