%chk=000157122.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157122

0 1
 O    2.820300      0.4919000      -2.034400    
 O    3.983200      0.3601000      0.4868000    
 O   -1.084400      -1.357300      0.2075000    
 O   -3.961600       2.216900      0.3926000    
 O   -4.646100      0.4160000     -0.6749000    
 O   -1.783400      -3.556500      0.3176000    
 N   -3.787200       1.103700     -0.1135000    
 C  -6.5899998E-02   1.191100      9.7099997E-02
 C   0.7112000      0.9779000      -1.041500    
 C    2.071800      0.6984000     -0.9150000    
 C   -1.484700       1.482500     -3.4800000E-02
 C   0.5178000       1.124700       1.362200    
 C    2.655400      0.6320000      0.3501000    
 C   -2.466700      0.5595000     -4.2100001E-02
 C    1.878400      0.8450000       1.488800    
 C   -2.431700     -0.9242000      7.1300000E-02
 C    2.915900     -0.8486000      -2.512000    
 C    4.501300      0.3103000       1.814800    
 C  -0.9021000      -2.707700      0.3222000    
 C   0.5585000      -3.015400      0.4572000    
 H   0.2638000       1.028200      -2.032000    
 H   -1.682200       2.548300     -0.1349000    
 H  -7.5800002E-02   1.288100       2.258600    
 H    2.263000      0.8083000       2.502100    
 H   -2.852800      -1.386600     -0.8297000    
 H   -3.000900      -1.249400      0.9508000    
 H    1.926400      -1.230400      -2.782700    
 H    3.374200      -1.495000      -1.756800    
 H    3.547800     -0.8505000      -3.404200    
 H    4.046500     -0.4998000       2.394900    
 H    4.419000       1.280300       2.316900    
 H    5.569600      8.3099999E-02   1.735500    
 H   0.9593000      -2.527000       1.348900    
 H    1.091000      -2.681700     -0.4367000    
 H   0.6939000      -4.095600      0.5613000    


%chk=000157122-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157122

0 1
O 3.221111 2.323799 -1.817383
O 4.392550 0.875552 0.344105
O -2.780207 -1.990611 0.954736
O -3.537918 0.801388 -2.218465
O -4.701025 0.080198 -0.397331
O -0.848523 -2.501429 2.169804
N -3.589629 0.346574 -1.007521
C 0.230638 0.542139 -0.486949
C 1.112855 1.336638 -1.284783
C 2.487835 1.433982 -1.021061
C -1.176299 0.563712 -0.873302
C 0.799478 -0.206134 0.586398
C 3.031420 0.705393 0.088287
C -2.320487 0.112010 -0.256825
C 2.175195 -0.122595 0.859003
C -2.527009 -0.508483 1.091541
C 4.492016 1.855435 -2.412506
C 4.965784 0.192471 1.513245
C -1.880483 -2.870406 1.558190
C -2.347865 -4.297376 1.381633
H 0.726168 1.915969 -2.130478
H -1.377288 1.052046 -1.838570
H 0.199798 -0.887418 1.195504
H 2.580573 -0.709904 1.688069
H -3.451585 -0.123864 1.546876
H -1.665509 -0.345963 1.755224
H 4.316999 0.956708 -3.034571
H 5.239059 1.637459 -1.632944
H 4.824366 2.689988 -3.047748
H 4.898703 -0.906369 1.405996
H 4.461261 0.513047 2.443440
H 6.020184 0.502738 1.532992
H -2.710513 -4.461669 0.354315
H -3.192613 -4.495347 2.065744
H -1.526241 -4.989078 1.617337


