%chk=000040540.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040540

0 1
 O    3.667100     -0.5285000      5.5199999E-02
 O   7.2499998E-02  -1.082900     -0.2645000    
 O   -2.589800     -0.3810000      0.2374000    
 O   -3.223200       2.298000     -0.1557000    
 C    2.326700     -0.3059000     -0.4138000    
 C    1.972400       1.118300     -2.2000000E-02
 C    3.308600       1.806000     -0.1491000    
 C    4.257400      0.7432000      0.3631000    
 C    1.394900      -1.345600      0.1777000    
 C  -0.8525000      -2.027900      0.2584000    
 C   -2.245400      -1.679500     -0.2300000    
 C   -3.889700     -1.1000000E-03 -0.1920000    
 C   -4.199000       1.386900      0.3352000    
 H    2.337200     -0.3909000      -1.507800    
 H    1.198200       1.557100     -0.6579000    
 H    1.631400       1.168200       1.019300    
 H    3.376500       2.743500      0.4087000    
 H    3.518600       2.018300      -1.204000    
 H    4.369100      0.8029000       1.450900    
 H    5.248700      0.8099000     -9.3800001E-02
 H    1.442000      -1.320500       1.273600    
 H    1.709200      -2.347300     -0.1398000    
 H  -0.5814000      -3.036200     -7.3100001E-02
 H  -0.8237000      -1.985100       1.353400    
 H   -2.966400      -2.414000      0.1452000    
 H   -2.263600      -1.678800      -1.326100    
 H   -4.632200     -0.7152000      0.1803000    
 H   -3.912200      8.0000004E-03  -1.288000    
 H   -5.186500       1.721700      6.3999998E-03
 H   -4.159300       1.412400       1.428700    
 H   -2.352000       1.977400      0.1344000    


%chk=000040540-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040540

0 1
O 3.324628 -0.238036 -0.068103
O -0.276572 -1.125449 -0.193734
O -3.212568 -1.092792 0.710846
O -1.693251 1.003366 -1.041402
C 1.883189 -0.029488 -0.396517
C 1.522904 1.381022 0.120579
C 2.873212 2.134342 0.011188
C 3.888226 1.048848 0.422634
C 1.125431 -1.193452 0.249855
C -1.091553 -2.267106 0.246419
C -2.541244 -2.045916 -0.183440
C -3.746118 0.132829 0.086876
C -2.702713 1.256262 -0.017712
H 1.769504 -0.085225 -1.497831
H 0.709461 1.843990 -0.461662
H 1.201046 1.324225 1.178682
H 2.918428 3.025612 0.660147
H 3.049571 2.453687 -1.032102
H 4.000968 0.997115 1.524812
H 4.883342 1.170502 -0.038751
H 1.180266 -1.126517 1.356662
H 1.571160 -2.156084 -0.074480
H -0.692670 -3.196507 -0.215876
H -1.043755 -2.363004 1.350946
H -3.078708 -3.012210 -0.101557
H -2.576804 -1.706848 -1.237561
H -4.573676 0.445746 0.750901
H -4.155420 -0.089329 -0.920745
H -3.212594 2.191440 -0.317354
H -2.242583 1.412300 0.982387
H -1.107505 0.238076 -0.743808