%chk=000157086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157086

0 1
 O    1.203600     -0.9602000      0.2611000    
 O    2.245200       1.548300       1.249200    
 O  -0.4536000       1.294300      -1.158900    
 O    4.131900      0.3362000      -1.488400    
 O   -1.465500       3.472600      0.1936000    
 O   0.8915000      -2.346200      -1.556200    
 O    5.070300      0.3397000       1.002100    
 C    1.965400     -6.2399998E-02 -0.5529000    
 C    1.677400       1.363600     -5.1899999E-02
 C   0.1922000       1.743800      4.1099999E-02
 C   -2.288900      -1.711000      0.1523000    
 C    3.433800     -0.5076000     -0.5787000    
 C   -1.258900      -2.124400       1.208200    
 C   -3.440200     -0.9226000      0.7798000    
 C  -8.1000000E-02  -2.890500      0.6062000    
 C   -4.453100     -0.4803000     -0.2778000    
 C  -5.9599999E-02   3.243900      0.1479000    
 C   0.7243000      -2.069200     -0.3763000    
 C   -5.585800      0.3357000      0.3441000    
 C    4.127900     -0.4096000      0.7642000    
 C   -6.576800      0.8059000     -0.7088000    
 H    1.599000     -9.2200004E-02  -1.588700    
 H    2.180500       2.064200     -0.7294000    
 H  -0.2891000       1.231300      0.8827000    
 H   -2.682800      -2.605500     -0.3452000    
 H   -1.811700      -1.097600     -0.6198000    
 H    3.531500      -1.542600     -0.9207000    
 H   -1.744900      -2.761500       1.957100    
 H  -0.8977000      -1.234200       1.736800    
 H   -3.040600     -4.0199999E-02   1.294500    
 H   -3.941200      -1.539500       1.535600    
 H   0.5971000      -3.232700       1.396200    
 H  -0.4418000      -3.785400      8.6000003E-02
 H   -3.945200      0.1215000      -1.041500    
 H   -4.867000      -1.361300     -0.7831000    
 H   0.3879000       3.663400       1.053200    
 H   0.3316000       3.770000     -0.7291000    
 H   -5.174300       1.208900      0.8637000    
 H   -6.112800     -0.2684000       1.091700    
 H    2.225200       2.498700       1.451100    
 H    3.734400      -1.080100       1.547700    
 H   -1.399100       1.507100      -1.076500    
 H    4.126800       1.242000      -1.136600    
 H   -7.030400     -4.4300001E-02  -1.227900    
 H   -6.086500       1.441500      -1.453000    
 H   -7.378900       1.386300     -0.2420000    
 H   -1.595200       4.434300      0.2571000    


%chk=000157086-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157086

0 1
O 1.185752 -0.982331 0.208930
O 2.133546 1.862540 0.945408
O -0.692807 1.106037 -1.296825
O 4.101127 0.834374 -1.220265
O -1.969378 2.902333 0.291077
O 1.184265 -2.545666 -1.522991
O 4.927627 0.347043 1.286860
C 1.876930 -0.007134 -0.677910
C 1.456710 1.423828 -0.289885
C -0.053188 1.543925 -0.047805
C -2.209741 -1.772506 0.171642
C 3.395535 -0.217791 -0.499547
C -1.191239 -2.275742 1.219930
C -3.291810 -0.856269 0.784576
C -0.002128 -3.049258 0.593113
C -4.330225 -0.361037 -0.247662
C -0.490159 2.974059 0.285791
C 0.824480 -2.217274 -0.372420
C -5.320833 0.670596 0.337740
C 3.849711 -0.225038 0.965589
C -6.372021 1.148167 -0.687421
H 1.582102 -0.217338 -1.720168
H 1.745868 2.074231 -1.138537
H -0.347227 0.877935 0.787046
H -2.689624 -2.640076 -0.327029
H -1.673808 -1.207848 -0.617968
H 3.644160 -1.220458 -0.918508
H -1.696824 -2.942535 1.946291
H -0.794908 -1.416806 1.793749
H -2.800131 0.024560 1.247873
H -3.816165 -1.390486 1.604948
H 0.670564 -3.407981 1.397669
H -0.353537 -3.933024 0.033080
H -3.800635 0.095366 -1.111129
H -4.893309 -1.226365 -0.655697
H -0.093482 3.273897 1.272858
H -0.140029 3.678514 -0.497563
H -4.744348 1.538491 0.717480
H -5.834124 0.226157 1.215091
H 3.022454 2.226558 0.698270
H 3.240600 -0.805100 1.687471
H -1.643750 1.390650 -1.234093
H 4.963224 0.977174 -0.732431
H -6.977437 0.299828 -1.059145
H -5.886550 1.619761 -1.562994
H -7.064627 1.888271 -0.245322
H -2.355709 3.797469 0.450633


