%chk=000163524.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163524

0 1
 O    3.408600      -2.162900     -0.6870000    
 O    5.021800     -0.3305000      -1.816900    
 O    4.921300       1.074700       1.547000    
 C    4.407500      -1.574000      0.1533000    
 C    2.936400      -1.469400      0.4779000    
 C    5.111800     -0.3690000     -0.3930000    
 C    2.239500     -0.1465000      0.2533000    
 C    4.540000      0.9388000      0.1796000    
 C    3.027500       1.022000      0.1139000    
 C   0.8203000     -3.5900000E-02  0.1745000    
 C    2.417400       2.267100     -6.0199998E-02
 C   0.2237000       1.227800     -1.2300000E-02
 C    1.031500       2.366600     -0.1227000    
 C  -4.0300000E-02  -1.147100      0.2736000    
 C   -1.178500       1.340200     -8.6300001E-02
 C   -1.441300      -1.032700      0.1978000    
 C   -2.050400      0.2289000      1.5000000E-02
 C   -3.487400      0.3145000     -5.7900000E-02
 C   -2.233400      -2.179600      0.3047000    
 C   -4.258000     -0.8719000      5.4800000E-02
 C   -3.620200      -2.101100      0.2345000    
 C   -4.205900       1.523300     -0.2378000    
 C   -5.660900     -0.8241000     -1.2300000E-02
 C   -5.601700       1.557400     -0.3031000    
 C   -6.329400      0.3830000     -0.1904000    
 H    5.032200      -2.226500      0.7464000    
 H    2.599000      -2.074800       1.313800    
 H    6.176000     -0.4399000     -0.1389000    
 H    4.967500       1.783700     -0.3752000    
 H    3.018200       3.168400     -0.1519000    
 H    5.407300      -1.156900      -2.154800    
 H   0.5870000       3.350100     -0.2633000    
 H   0.3869000      -2.140700      0.4114000    
 H    5.893000       1.073100       1.582100    
 H   -1.592400       2.337200     -0.2297000    
 H   -1.777500      -3.158000      0.4456000    
 H   -4.197200      -3.019700      0.3227000    
 H   -3.690000       2.475300     -0.3323000    
 H   -6.250300      -1.735200      7.4400000E-02
 H   -6.114400       2.504800     -0.4422000    
 H   -7.413800      0.4042000     -0.2403000    


%chk=000163524-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163524

0 1
O 3.466808 -2.250674 -0.703194
O 5.074481 -0.402583 -1.824843
O 4.959880 1.100188 1.618496
C 4.431359 -1.582007 0.257021
C 2.972757 -1.428317 0.525264
C 5.175718 -0.386397 -0.366225
C 2.303720 -0.130229 0.243275
C 4.605748 0.946125 0.182551
C 3.091358 1.022701 0.098584
C 0.861883 -0.050156 0.161590
C 2.464151 2.295097 -0.101788
C 0.240068 1.249725 -0.029054
C 1.079159 2.409651 -0.154600
C 0.015896 -1.187062 0.247048
C -1.176343 1.349489 -0.098326
C -1.390318 -1.080742 0.173360
C -2.017377 0.223039 0.004159
C -3.485849 0.307349 -0.062086
C -2.221926 -2.265444 0.262118
C -4.263874 -0.901799 0.034908
C -3.595369 -2.179664 0.195665
C -4.183121 1.541790 -0.218628
C -5.688000 -0.835753 -0.028138
C -5.585030 1.588310 -0.278452
C -6.347355 0.391478 -0.182854
H 5.016442 -2.286323 0.856844
H 2.512449 -2.083446 1.273478
H 6.251614 -0.447912 -0.118016
H 5.048247 1.768322 -0.415511
H 3.097396 3.183529 -0.203073
H 4.301822 -0.997318 -2.045403
H 0.608596 3.388795 -0.300950
H 0.453966 -2.186088 0.349962
H 5.921465 1.336123 1.684363
H -1.603302 2.347900 -0.241050
H -1.728977 -3.237073 0.383402
H -4.213763 -3.082469 0.263886
H -3.625590 2.480446 -0.294114
H -6.263018 -1.766452 0.047034
H -6.093470 2.551104 -0.399067
H -7.440897 0.431445 -0.229837


