%chk=000098007.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098007

0 1
 O   0.6502000     -0.1957000     -0.8639000    
 O    2.820400      -1.976600      0.3075000    
 O    1.364700       2.496400     -0.4806000    
 O   -2.018300      -3.298200     -0.3451000    
 O    4.623500     -0.5503000      7.9599999E-02
 O   -5.364600     -0.1727000      8.2099997E-02
 O    1.033600       4.136700       1.112200    
 N   -1.403800      -1.055100     -0.1415000    
 N   -3.677100      -1.728900     -0.1320000    
 C    2.050100     -0.9352000      0.9030000    
 C    1.822400      0.1765000     -0.1127000    
 C   0.6543000      -1.455200       1.152800    
 C   7.3000002E-03  -1.300500     -0.2139000    
 C    1.552500       1.527000      0.5375000    
 C   -1.841600      0.2551000      4.1000000E-03
 C   -2.334400      -2.113700     -0.2161000    
 C   -3.127100      0.6199000      8.4200002E-02
 C    4.100100      -1.647400     -6.0300000E-02
 C   -4.167800     -0.4401000      1.3900000E-02
 C   -3.576800       2.037100      0.2409000    
 C    1.110500       3.772000     -5.3199999E-02
 C    4.786300      -2.833200     -0.6679000    
 C   0.9356000       4.682300      -1.230700    
 H    2.545600     -0.6106000       1.824400    
 H    2.612700      0.2918000     -0.8584000    
 H   0.6205000      -2.493400       1.498000    
 H   0.1525000     -0.8311000       1.902000    
 H   0.1964000      -2.192200     -0.8238000    
 H    2.420100       1.814700       1.143700    
 H   0.6717000       1.498800       1.186400    
 H   -1.089800       1.028300      5.5799998E-02
 H   -4.365500      -2.474700     -0.1831000    
 H   -4.149500       2.156400       1.166400    
 H   -4.210800       2.332400     -0.6014000    
 H   -2.731900       2.732900      0.2808000    
 H    4.244300      -3.156700      -1.560100    
 H    4.842300      -3.643100      6.3699998E-02
 H    5.803000      -2.554600     -0.9592000    
 H   8.7300003E-02   4.348400      -1.833400    
 H    1.851000       4.695600      -1.827600    
 H   0.7345000       5.697800     -0.8778000    


%chk=000098007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098007

0 1
O 0.682501 0.197777 -0.780909
O 2.872725 -1.999047 0.252819
O 1.934666 2.771605 -0.415882
O -1.849604 -2.936050 -1.096186
O 4.851854 -0.819128 0.591872
O -5.500795 -0.211939 -0.043267
O -0.206815 3.144600 0.444001
N -1.428506 -0.785201 -0.216888
N -3.639125 -1.520626 -0.560288
C 2.139688 -0.853195 0.864978
C 2.019663 0.321279 -0.147640
C 0.694565 -1.313153 1.084244
C 0.022500 -1.029196 -0.279354
C 2.153192 1.677015 0.558210
C -1.931798 0.430339 0.265729
C -2.278083 -1.828500 -0.663564
C -3.276126 0.704884 0.357996
C 4.270256 -1.849148 0.181717
C -4.240213 -0.319289 -0.070681
C -3.805588 2.026278 0.858372
C 0.683114 3.402800 -0.399652
C 4.905427 -3.071566 -0.434185
C 0.581552 4.399269 -1.528358
H 2.670422 -0.556912 1.785881
H 2.777697 0.239930 -0.945632
H 0.636088 -2.375306 1.365597
H 0.219943 -0.703383 1.873754
H 0.171539 -1.866620 -0.982163
H 3.187977 1.803863 0.916876
H 1.431031 1.781726 1.388009
H -1.179953 1.182020 0.521543
H -4.282312 -2.255349 -0.872082
H -4.385983 1.891849 1.789819
H -4.500345 2.468550 0.121736
H -2.982268 2.735604 1.045497
H 4.525349 -3.220356 -1.459976
H 4.639416 -3.972714 0.144590
H 5.997645 -2.951038 -0.457141
H 0.309208 3.863266 -2.456048
H 1.547283 4.899218 -1.701320
H -0.203384 5.136746 -1.305722


