%chk=000040769.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040769

0 1
 O   0.5574000      0.7427000     -0.8773000    
 O    2.470700      -1.023000      0.2144000    
 O    5.100100     -0.1679000      0.4228000    
 O   -1.785400      -2.299200      0.5441000    
 O  -0.3546000      -1.821800      -1.194800    
 C    2.839400      0.2804000     -0.2427000    
 C    1.642700       1.211300     -8.3700001E-02
 C    4.025700      0.7516000      0.5883000    
 C  -0.7033000      0.9817000     -0.3989000    
 C   -1.568900     -7.2300002E-02 -0.1225000    
 C   -1.105600       2.297900     -0.1918000    
 C   -2.848500      0.1923000      0.3657000    
 C   -2.385200       2.562300      0.2964000    
 C   -3.256500       1.509600      0.5751000    
 C   -1.162400      -1.454900     -0.3328000    
 C   -1.465600      -3.690700      0.4376000    
 H    3.114900      0.1699000      -1.296700    
 H    1.906200       2.222800     -0.4128000    
 H    1.347800       1.250700      0.9738000    
 H    3.784800      0.7897000       1.655900    
 H    4.366900       1.740400      0.2681000    
 H  -0.4407000       3.128200     -0.4127000    
 H   -3.556300     -0.6043000      0.5797000    
 H   -2.704000       3.588000      0.4570000    
 H   -4.254100       1.716200      0.9517000    
 H    2.203300     -0.9502000       1.146600    
 H    4.781300      -1.042200      0.7050000    
 H  -0.3978000      -3.846900      0.6177000    
 H   -1.750700      -4.068400     -0.5487000    
 H   -2.034300      -4.230100       1.199600    


%chk=000040769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040769

0 1
O 0.695607 0.158565 0.150440
O 3.374876 -0.411248 1.447179
O 5.554421 0.459083 0.001093
O -2.497788 -2.555747 0.150368
O -0.356675 -2.261119 -0.713945
C 3.103392 0.322513 0.189538
C 1.800698 1.120583 0.227322
C 4.320833 1.226728 -0.113858
C -0.612575 0.642923 0.185895
C -1.665468 -0.320245 0.067165
C -0.926528 2.015720 0.362792
C -3.008495 0.127898 0.169788
C -2.271780 2.432157 0.442456
C -3.319850 1.489468 0.354795
C -1.387163 -1.760908 -0.209495
C -2.347002 -3.999176 -0.137733
H 3.025896 -0.475497 -0.567133
H 1.756564 1.815137 -0.637871
H 1.732302 1.720852 1.162199
H 4.329244 2.101464 0.578908
H 4.281951 1.599530 -1.152257
H -0.132225 2.763064 0.440639
H -3.802061 -0.619494 0.092105
H -2.496734 3.496108 0.576392
H -4.363488 1.811329 0.422693
H 3.119511 0.149590 2.224449
H 5.425838 -0.157462 0.773286
H -1.471707 -4.407135 0.395287
H -2.214675 -4.164531 -1.220741
H -3.279617 -4.456352 0.222343