%chk=000130214.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130214

0 1
 O    3.650400      0.8076000     -0.6066000    
 O    3.055100      -2.485600      0.6644000    
 O    5.401800     -0.9516000       1.984300    
 O   -5.215600      -1.815900      0.1920000    
 O    5.918200       2.463400     -0.8032000    
 N    1.403900      0.1760000     -0.2116000    
 N   -3.166200      0.8038000     -0.1195000    
 N  -0.2601000       1.520000      0.4166000    
 N   0.1263000      -1.619700      -1.233400    
 N   -2.270900      -1.175700      -1.123000    
 C   -4.543300      0.4459000     -0.3826000    
 C    2.768200     -0.3130000     -0.4007000    
 C    3.308100      -1.097100      0.7901000    
 C    4.787700     -0.7848000      0.7206000    
 C   -5.047900     -0.5069000      0.7106000    
 C    4.771400      0.6714000      0.2837000    
 C   -5.437900       1.689300     -0.3037000    
 C   -6.380500      7.4800000E-02   1.168200    
 C   -6.171900       1.571200       1.025900    
 C    6.040400       1.100300     -0.4308000    
 C   0.2503000     -0.4429000     -0.6012000    
 C   -2.087500      1.5500000E-02 -0.4804000    
 C  -0.7695000      0.4066000     -0.2030000    
 C    1.045500       1.350500      0.3953000    
 C   -1.176200      -1.903100      -1.452200    
 H   -4.631000      1.2000000E-02  -1.386500    
 H    2.771000     -0.9086000      -1.321500    
 H    2.883900     -0.7614000       1.744500    
 H    5.288200      -1.438400     -3.8999999E-03
 H   -4.351500     -0.5628000       1.556500    
 H    4.590000       1.340900       1.134400    
 H   -6.172700       1.655700      -1.118300    
 H   -4.896500       2.637000     -0.3898000    
 H   -6.622400     -0.2160000       2.195100    
 H   -7.200800     -0.2716000      0.5278000    
 H   -5.543800       1.949200       1.841200    
 H   -7.114200       2.126200       1.030800    
 H   -2.972300       1.648000      0.4083000    
 H    6.188900      0.5187000      -1.346500    
 H    6.916100      0.9888000      0.2156000    
 H    1.769600       2.040100      0.8076000    
 H    2.090700      -2.604500      0.6279000    
 H    6.326700     -0.6639000       1.901000    
 H   -5.609000      -2.360000      0.8955000    
 H    6.741100       2.710700      -1.258300    
 H   -1.374000      -2.840700      -1.960600    


%chk=000130214-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130214

0 1
O 3.696294 1.257738 -0.407237
O 2.982206 -2.347382 -0.522887
O 5.244833 -1.467957 1.501295
O -6.163901 -1.512713 0.749143
O 6.039071 2.730875 0.805490
N 1.404784 0.554545 -0.587764
N -3.262651 0.518468 -0.349044
N -0.476954 1.850785 -0.393773
N 0.331748 -1.697754 -0.681579
N -2.114000 -1.554395 -0.540911
C -4.604305 -0.095131 -0.380142
C 2.814922 0.153540 -0.788242
C 3.204681 -1.064884 0.094360
C 4.700238 -0.801049 0.328476
C -5.001892 -0.641748 1.016276
C 4.738915 0.724976 0.544853
C -5.683131 0.983661 -0.642698
C -5.404793 0.622899 1.812823
C -6.013120 1.605131 0.756661
C 6.078405 1.373333 0.247724
C 0.322296 -0.327277 -0.589179
C -2.092734 -0.176777 -0.447809
C -0.829076 0.490743 -0.470006
C 0.869754 1.848152 -0.474309
C -0.932052 -2.223119 -0.651614
H -4.604499 -0.917423 -1.114090
H 2.966628 -0.085541 -1.860181
H 2.677466 -0.974710 1.070670
H 5.253056 -1.091418 -0.591975
H -4.181422 -1.220320 1.481820
H 4.434579 0.963338 1.581870
H -6.573806 0.477058 -1.047906
H -5.353113 1.732314 -1.385900
H -4.506144 1.061286 2.286321
H -6.114878 0.382178 2.624744
H -5.579531 2.615862 0.866828
H -7.104039 1.708677 0.882742
H -3.181962 1.536957 -0.293274
H 6.245862 1.385341 -0.849747
H 6.867087 0.762448 0.737358
H 1.514452 2.721495 -0.437716
H 1.966904 -2.415055 -0.645481
H 5.104518 -2.442778 1.388736
H -6.483310 -1.892586 1.605128
H 6.884309 3.199849 0.593551
H -1.003890 -3.312233 -0.722803


