%chk=000049651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049651

0 1
 I  -0.5023000       2.812000       1.400600    
 I   -1.709600      -3.105700      0.5017000    
 I    3.997200      -1.023900     -0.1144000    
 O   -2.583600     -5.5500001E-02   2.331200    
 O    1.861000      -3.846000      0.8355000    
 O    2.396200       2.503700      -1.535300    
 O    4.151300       4.366000      -1.037400    
 O   -4.188600       1.003500      -2.142100    
 O   -6.223200       1.330500      -1.192700    
 N    2.422600       1.675700      0.6689000    
 N   -2.977800      0.3894000      9.0000004E-02
 N    1.445500      -3.433200      -1.408200    
 C  -0.7528000     -0.2078000      0.8743000    
 C    1.505700      0.6151000      0.6312000    
 C    1.028400      -1.726600      0.2759000    
 C   0.1592000      0.8470000      0.9116000    
 C  -0.3182000      -1.494600      0.5564000    
 C    1.940300     -0.6717000      0.3133000    
 C   -2.165900      3.5799999E-02   1.168400    
 C    1.484700      -3.076300     -5.9700001E-02
 C    2.796000       2.524900     -0.3752000    
 C   -4.386400      0.6843000      0.2228000    
 C    3.818100       3.549800      6.6299997E-02
 C    1.839900      -4.736000      -1.894100    
 C   -5.037800       1.039200      -1.089000    
 H    2.791100       1.881900       1.594900    
 H   -2.557900      0.4502000     -0.8336000    
 H   -4.489700       1.526200      0.9138000    
 H   -4.877200     -0.2002000      0.6396000    
 H    1.094200      -2.761600      -2.084800    
 H    3.391300       4.177700      0.8535000    
 H    4.718400       3.054200      0.4408000    
 H   0.9518000      -5.371600      -1.930000    
 H    2.586300      -5.183800      -1.233600    
 H    2.250600      -4.620100      -2.899600    
 H    4.613400       3.807900      -1.686200    
 H   -4.636100       1.237300      -2.983100    


%chk=000049651-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049651

0 1
I -0.512342 2.856531 1.475817
I -1.812137 -3.051345 0.255133
I 4.023455 -1.060649 0.145410
O -2.745414 -0.047790 2.351760
O 1.681719 -3.993884 0.832613
O 2.651805 2.041492 -1.507717
O 4.372774 4.103851 -1.285711
O -4.331662 1.151377 -2.080574
O -6.419712 1.400475 -1.081228
N 2.445727 1.715859 0.800042
N -3.077099 0.456269 0.108160
N 1.638758 -3.394036 -1.427867
C -0.832310 -0.168092 0.836027
C 1.503870 0.643392 0.709313
C 0.993694 -1.731106 0.231083
C 0.122509 0.871111 0.946426
C -0.377815 -1.458145 0.463723
C 1.923796 -0.672783 0.376656
C -2.295446 0.081736 1.175061
C 1.469167 -3.146238 -0.082092
C 2.965652 2.348383 -0.320492
C -4.506696 0.706088 0.293324
C 3.995506 3.458073 -0.048756
C 2.112847 -4.687278 -1.935642
C -5.210371 1.119995 -0.986127
H 2.690204 2.072758 1.727885
H -2.688355 0.560786 -0.832223
H -4.673854 1.495396 1.051899
H -5.014032 -0.194985 0.691180
H 1.462131 -2.634498 -2.088533
H 3.568333 4.210898 0.644486
H 4.884618 3.000341 0.435760
H 1.384510 -5.124389 -2.642117
H 2.228376 -5.363406 -1.073978
H 3.090309 -4.580703 -2.440953
H 3.940458 3.584199 -2.022877
H -4.816873 1.428018 -2.903172


