%chk=000043960.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043960

0 1
 O    3.997100      0.2703000      -1.056800    
 O   -3.997700     -0.2709000      -1.056900    
 O  -0.7705000      -1.271600       1.833600    
 O   0.7697000       1.272700       1.833200    
 O   0.2329000      -3.423200      0.8215000    
 O  -0.2308000       3.417400      0.8245000    
 O    1.775100      -3.240700     -0.7561000    
 O   -1.770700       3.247400     -0.7567000    
 O    5.437500      0.1804000      0.6221000    
 O   -5.438100     -0.1807000      0.6220000    
 O    6.094100       1.116900      -1.291900    
 O   -6.094400      -1.117900      -1.291800    
 N   0.8892000      -1.335900      0.1462000    
 N  -0.8899000       1.336100      0.1458000    
 N   0.9710000      -2.788000      6.4300001E-02
 N  -0.9721000       2.788200      6.3600004E-02
 N    5.293100      0.5529000     -0.5429000    
 N   -5.293600     -0.5535000     -0.5429000    
 C    1.794000     -0.6351000     -0.7652000    
 C   -1.794700      0.6349000     -0.7654000    
 C    3.145100     -0.3795000     -0.1224000    
 C   -3.145700      0.3793000     -0.1227000    
 C   8.9999996E-03 -0.7475000       1.047500    
 C  -9.6000005E-03  0.7481000       1.047300    
 H    1.356300      0.3313000      -1.038000    
 H    1.891900      -1.156600      -1.724800    
 H   -1.356600     -0.3312000      -1.038900    
 H   -1.893200       1.157600      -1.724400    
 H    3.587100      -1.337100      0.1809000    
 H    3.011800      0.2479000      0.7673000    
 H   -3.587700       1.337000      0.1802000    
 H   -3.012400     -0.2477000      0.7671000    


%chk=000043960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043960

0 1
O 4.311098 0.076574 -1.094198
O -4.311667 -0.075591 -1.094593
O -1.066472 -1.345057 1.010484
O 1.065415 1.343569 1.012319
O 0.688087 -3.373852 1.368735
O -0.683505 3.372562 1.368186
O 2.237759 -3.443607 -0.311563
O -2.239259 3.443614 -0.306464
O 5.917360 0.224139 0.659770
O -5.917954 -0.223761 0.659277
O 6.426578 0.950807 -1.459687
O -6.427243 -0.949356 -1.460532
N 1.126625 -1.417380 0.097383
N -1.126661 1.416936 0.097650
N 1.354818 -2.875021 0.417040
N -1.353887 2.874377 0.418757
N 5.700213 0.456257 -0.566260
N -5.700811 -0.455334 -0.566860
C 2.149532 -0.811672 -0.787043
C -2.149979 0.812187 -0.787055
C 3.451405 -0.489512 -0.025218
C -3.451829 0.489714 -0.025279
C -0.049900 -0.783063 0.542410
C 0.049479 0.781922 0.542446
H 1.730287 0.109653 -1.220838
H 2.356491 -1.516739 -1.608953
H -1.731090 -0.108803 -1.221885
H -2.356937 1.518104 -1.608194
H 3.918182 -1.398463 0.392858
H 3.275697 0.256794 0.766914
H -3.918494 1.398453 0.393383
H -3.276138 -0.257152 0.766310


