%chk=000158112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158112

0 1
 O  -0.5751000      0.8399000     -0.2800000    
 O   0.8712000       1.062200      -2.070800    
 O   -3.057000      -1.475300     -0.6553000    
 C    2.206300     -0.6306000      0.4937000    
 C    3.048900      0.2257000     -0.3886000    
 C    1.736000      0.7385000      9.7900003E-02
 C    1.572500      -1.825400     -0.1359000    
 C    2.580400     -0.8392000       1.923400    
 C    4.274400      0.8472000      0.1486000    
 C   0.6449000      0.8990000     -0.8804000    
 C    5.508500      0.3121000      0.2150000    
 C    5.848000      -1.068500     -0.2710000    
 C    6.660700       1.083400      0.7964000    
 C   -1.697800      0.9870000      -1.155200    
 C   -2.961100      0.9000000     -0.3502000    
 C   -3.580300     -0.3277000     -0.1398000    
 C   -3.503600       2.065400      0.1817000    
 C   -4.754600     -0.3908000      0.6102000    
 C   -4.677800       2.002400      0.9318000    
 C   -5.303300      0.7742000       1.146100    
 C   -2.691800      -2.494900      0.2725000    
 C   -2.149300      -3.684600     -0.4902000    
 H    3.132600     -4.8500001E-02  -1.435700    
 H    1.743700       1.505300      0.8679000    
 H    1.383600      -1.700700      -1.207700    
 H    2.219400      -2.702800     -2.5400000E-02
 H   0.6159000      -2.050600      0.3469000    
 H    3.372500      -1.591000       2.009100    
 H    2.929600      7.4800000E-02   2.416100    
 H    1.716300      -1.196900       2.494600    
 H    4.150700       1.863500      0.5203000    
 H    6.612000      -1.015900      -1.053600    
 H    6.238200      -1.673200      0.5542000    
 H    4.985800      -1.597600     -0.6872000    
 H    6.364500       2.081100       1.137100    
 H    7.449500       1.208500      4.7499999E-02
 H    7.078500      0.5495000       1.656200    
 H   -1.671900      0.2113000      -1.930300    
 H   -1.641200       1.958800      -1.662100    
 H   -3.024600       3.027900      2.3499999E-02
 H   -5.267600      -1.334400      0.7732000    
 H   -5.105500       2.909600       1.348700    
 H   -6.219900      0.7258000       1.726600    
 H   -3.557400      -2.819500      0.8596000    
 H   -1.925600      -2.109500      0.9552000    
 H   -1.286700      -3.392300      -1.098000    
 H   -2.904600      -4.077600      -1.178700    
 H   -1.845400      -4.482200      0.1934000    


%chk=000158112-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158112

0 1
O -0.302282 0.943502 -0.154913
O 0.697760 -0.533332 -1.677517
O -2.665292 -1.154974 -0.316723
C 2.332040 -1.489325 0.900290
C 3.170819 -0.471679 0.105914
C 1.700885 -0.113521 0.520922
C 1.883931 -2.756493 0.175128
C 2.609303 -1.701498 2.388751
C 4.315958 0.282500 0.675616
C 0.688661 0.033918 -0.553755
C 5.412757 0.740662 -0.000004
C 5.650455 0.562407 -1.489069
C 6.513759 1.492452 0.730502
C -1.422577 1.196301 -1.129107
C -2.725107 1.230656 -0.374592
C -3.350264 0.014757 0.034875
C -3.361667 2.452112 -0.065131
C -4.578850 0.036269 0.738527
C -4.591060 2.488074 0.633717
C -5.192163 1.275725 1.034133
C -3.268051 -2.455998 0.034767
C -2.336057 -3.533308 -0.513160
H 3.237896 -0.715246 -0.960739
H 1.575109 0.590578 1.348011
H 1.629062 -2.555350 -0.878423
H 2.691861 -3.511919 0.207652
H 0.992962 -3.193052 0.667228
H 3.458038 -2.397975 2.527365
H 2.853091 -0.762963 2.915765
H 1.722689 -2.140882 2.882726
H 4.267578 0.489574 1.755039
H 5.769550 1.547886 -1.981925
H 6.591078 0.004513 -1.669766
H 4.835709 0.027712 -2.002359
H 6.293446 1.604403 1.806467
H 6.656088 2.504754 0.301506
H 7.486399 0.969311 0.632065
H -1.388925 0.396042 -1.887850
H -1.208222 2.172531 -1.597518
H -2.882663 3.388248 -0.376908
H -5.061461 -0.892387 1.056355
H -5.068952 3.445973 0.862495
H -6.143121 1.286955 1.578774
H -4.278870 -2.528404 -0.417312
H -3.366936 -2.528399 1.137515
H -1.328784 -3.435865 -0.074036
H -2.240802 -3.445342 -1.608524
H -2.732277 -4.536505 -0.271473


