%chk=000047895.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047895

0 1
 O   0.4559000      0.3001000       1.242900    
 O    4.736200      -2.754500     -0.5638000    
 O    4.388900       2.854600      -1.223800    
 O    4.587600      -1.872500       1.524800    
 O    4.030400       2.614800       1.006900    
 N    2.939700      6.2500000E-02  6.5200001E-02
 N  -0.4777000     -0.8364000     -0.5870000    
 C   -6.034500      0.1733000     -1.6400000E-02
 C   -4.574400     -9.2100002E-02 -0.1664000    
 C    1.891900     -0.8969000     -0.2822000    
 C   -1.863100     -0.5846000     -0.4445000    
 C   -6.607400     -0.4078000       1.290200    
 C   -6.373400       1.672800     -0.1139000    
 C   -4.111700     -0.8636000      -1.232200    
 C   -3.671900      0.4314000      0.7595000    
 C    4.246300     -0.4267000     -0.3733000    
 C    2.656000       1.367300     -0.5310000    
 C   0.5555000     -0.3959000      0.2375000    
 C   -2.746100      -1.111700      -1.372200    
 C   -2.306400      0.1834000      0.6192000    
 C    4.523100      -1.737500      0.3095000    
 C    3.755100       2.319900     -0.1492000    
 H   -6.570900     -0.3208000     -0.8380000    
 H    2.041200      -1.869300      0.2011000    
 H    1.852400      -1.058700      -1.366900    
 H   -6.186800      8.1600003E-02   2.175200    
 H   -7.694600     -0.2788000       1.323100    
 H   -6.393500      -1.479700       1.365900    
 H   -5.991100       2.098000      -1.048500    
 H   -7.458400       1.822900     -9.5399998E-02
 H   -5.943700       2.244800      0.7154000    
 H   -4.801000      -1.279000      -1.962400    
 H   -4.011700       1.034900       1.596800    
 H    4.285300     -0.5595000      -1.462000    
 H    5.077200      0.2302000     -9.2900001E-02
 H    2.594400       1.301500      -1.625100    
 H    1.727000       1.829400     -0.1829000    
 H   -2.396100      -1.713800      -2.206100    
 H   -1.673000      0.6225000       1.375400    
 H  -0.2303000      -1.414500      -1.387100    
 H    4.932200      -3.597800     -0.1026000    
 H    5.090700       3.486100     -0.9576000    


%chk=000047895-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047895

0 1
O -0.007162 2.057407 -2.476929
O 3.665309 -3.217546 -0.342531
O 3.436901 1.835033 2.324969
O 1.587635 -2.192754 -0.323105
O 3.139767 -0.409770 1.802914
N 2.830722 0.313862 -0.996347
N -0.007145 0.204009 -1.007622
C -5.493515 -0.277056 0.858388
C -4.053487 -0.125992 0.360971
C 2.079826 0.809839 -2.156369
C -1.363696 0.137300 -0.582242
C -5.953833 0.955715 1.681130
C -6.473979 -0.550806 -0.314485
C -3.049816 -1.052104 0.742421
C -3.674257 0.933529 -0.503836
C 3.591887 -0.921898 -1.078374
C 3.197233 1.311546 0.002037
C 0.575643 1.096033 -1.883375
C -1.723295 -0.930699 0.282579
C -2.354345 1.076874 -0.977526
C 2.819345 -2.132146 -0.533008
C 3.234892 0.778803 1.431732
H -5.522638 -1.158366 1.531342
H 2.133083 0.056975 -2.965899
H 2.494464 1.754267 -2.566273
H -5.959331 1.869155 1.057684
H -6.979149 0.805590 2.068411
H -5.280365 1.136789 2.538119
H -6.175424 -1.450661 -0.881930
H -7.503143 -0.701259 0.062548
H -6.492275 0.301048 -1.019657
H -3.311322 -1.883629 1.408928
H -4.424290 1.668425 -0.821395
H 3.869062 -1.163241 -2.126354
H 4.542084 -0.861281 -0.517633
H 4.189421 1.790180 -0.186556
H 2.459224 2.133852 -0.018632
H -0.963049 -1.661109 0.584068
H -2.076547 1.893017 -1.647600
H 0.619568 -0.539477 -0.647033
H 3.150902 -3.995603 0.005156
H 3.474395 1.486051 3.256514


