%chk=000113729.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113729

0 1
 O   -2.792200      -4.241500      0.8713000    
 O   -3.560400      -1.703300      3.5500001E-02
 O    6.762700       1.236900       1.309700    
 O   -4.830300       2.693400       2.180200    
 N  -7.3399998E-02  -1.736400      0.5825000    
 N    2.502000     -0.6377000      1.7600000E-02
 C   0.6444000     -0.9640000       1.604100    
 C   0.8841000      -2.476000     -0.2486000    
 C    1.603200      4.0199999E-02  0.9602000    
 C    1.852000      -1.522800     -0.9538000    
 C   -1.025600      -2.653400       1.208000    
 C   -1.868600      -3.401700      0.1727000    
 C    3.703700     -3.5000001E-03 -0.3169000    
 C   -2.656600      -2.474400     -0.7500000    
 C    4.657400      0.3114000      0.6716000    
 C    3.996900      0.3386000      -1.652200    
 C    5.855900      0.9426000      0.3384000    
 C    5.195400      0.9698000      -1.985300    
 C    6.124800       1.271900     -0.9901000    
 C   -3.859400     -0.4489000     -0.4248000    
 C   -4.174500      0.5600000      0.4792000    
 C   -3.846500     -0.1952000      -1.792100    
 C   -4.480400       1.837500      1.0200000E-02
 C   -4.152400       1.082400      -2.261000    
 C    7.967200       1.882400      0.8994000    
 C   -4.469400       2.098900      -1.359900    
 C   -4.811800       2.897000      0.9500000    
 C   -5.148200       4.295600      0.4441000    
 H    1.205700      -1.631000       2.272400    
 H  -6.8899997E-02 -0.4059000       2.222700    
 H   0.3890000      -3.037200      -1.046000    
 H    1.451800      -3.194800      0.3578000    
 H    2.159100      0.5423000       1.760300    
 H    1.036600      0.8134000      0.4252000    
 H    1.306700     -0.9251000      -1.695600    
 H    2.597700      -2.126400      -1.486200    
 H  -0.5156000      -3.382200       1.853400    
 H   -1.698900      -2.098100       1.874900    
 H   -1.253000      -4.081000     -0.4240000    
 H   -3.250400      -3.074200      -1.450100    
 H   -1.952600      -1.855200      -1.318500    
 H    4.469500      5.0200000E-02   1.711300    
 H    3.291700      0.1307000      -2.453000    
 H   -3.309000      -4.727400      0.2061000    
 H    5.402900       1.228600      -3.019600    
 H    7.034300       1.763100      -1.318400    
 H   -4.177000      0.3360000       1.543000    
 H   -3.637300     -0.9648000      -2.528700    
 H   -4.151100       1.283800      -3.328300    
 H    8.554700       1.248200      0.2269000    
 H    7.768200       2.870200      0.4700000    
 H    8.571600       2.040600       1.798500    
 H   -4.702700       3.077500      -1.767500    
 H   -6.037700       4.264400     -0.1906000    
 H   -4.294500       4.719800     -9.0700001E-02
 H   -5.366300       4.942700       1.299600    


%chk=000113729-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113729

0 1
O -2.935969 -3.649381 0.470817
O -3.302977 -0.920742 0.091666
O 6.884931 1.833638 0.888501
O -6.475308 2.073557 2.563406
N 0.348649 -1.769465 0.321763
N 3.106932 -1.006687 -0.140869
C 0.995277 -0.725504 1.154713
C 1.362281 -2.771759 -0.086225
C 2.109893 -0.030807 0.355611
C 2.497140 -2.117896 -0.894892
C -0.852611 -2.378733 0.942114
C -1.875547 -2.831439 -0.131091
C 4.425227 -0.585976 -0.448845
C -2.471547 -1.644516 -0.896683
C 5.061918 0.430649 0.316509
C 5.175479 -1.190740 -1.508502
C 6.389494 0.822466 0.041792
C 6.501601 -0.791238 -1.758598
C 7.136889 0.216226 -0.999092
C -4.025927 0.201945 -0.335207
C -4.839365 0.814813 0.641798
C -3.971451 0.726689 -1.652579
C -5.609552 1.956285 0.314980
C -4.742536 1.867393 -1.972891
C 8.267928 2.264659 0.684595
C -5.559484 2.485167 -1.005116
C -6.462234 2.566679 1.397871
C -7.311553 3.788139 1.062418
H 1.431729 -1.156762 2.090037
H 0.235243 0.024528 1.439744
H 0.883935 -3.548019 -0.711077
H 1.803321 -3.279336 0.808582
H 2.598923 0.713744 1.001188
H 1.647191 0.512419 -0.500474
H 2.095759 -1.771381 -1.876053
H 3.262020 -2.888992 -1.087710
H -0.608308 -3.262792 1.574905
H -1.338693 -1.628462 1.593114
H -1.382449 -3.501974 -0.857510
H -3.113568 -1.996837 -1.727033
H -1.658252 -0.993098 -1.269668
H 4.566836 0.919034 1.159520
H 4.724771 -1.949141 -2.153153
H -3.553663 -3.029632 0.940542
H 7.052459 -1.267574 -2.578166
H 8.165578 0.511201 -1.220819
H -4.884334 0.414701 1.659579
H -3.342511 0.265098 -2.419010
H -4.699059 2.271029 -2.990282
H 8.978468 1.427418 0.830397
H 8.412637 2.698900 -0.324251
H 8.444322 3.037135 1.447979
H -6.148524 3.366493 -1.275582
H -8.030793 3.560395 0.253739
H -6.680787 4.628406 0.717159
H -7.865332 4.098077 1.961236


