%chk=000063669.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063669

0 1
 I    8.020900      -2.968700      0.2200000    
 O    2.544300      -1.765400      0.2213000    
 O   0.4866000      0.7245000       2.271900    
 O   -6.104500      -2.357400      0.2001000    
 O   -7.570100     -0.1069000     -0.5158000    
 N    2.296100      0.5336000     -7.2999999E-02
 N   0.9212000      0.4565000     -2.5100000E-02
 N   -1.148300      0.2292000     -0.8122000    
 N    4.151800       1.965500     -0.3113000    
 C   0.1215000      0.2707000      -1.093300    
 C    2.869600       1.779700     -0.2510000    
 C    3.020300     -0.6465000      6.0800001E-02
 C    4.487000     -0.4555000     -5.5999998E-03
 C   0.1725000      0.5572000       1.110500    
 C   -1.200900      0.4025000      0.5561000    
 C    4.988700      0.8413000     -0.1885000    
 C   -2.298300      0.4335000       1.313600    
 C   0.6733000      0.1257000      -2.471900    
 C    1.953600       2.970400     -0.3804000    
 C    5.349400      -1.550000      0.1120000    
 C   -3.685000      0.2876000      0.8331000    
 C    6.374700       1.022600     -0.2517000    
 C    6.727400      -1.350500      4.6900000E-02
 C    7.239600     -6.7000002E-02 -0.1347000    
 C   -4.241500     -0.9774000      0.7440000    
 C   -4.401400       1.418900      0.4800000    
 C   -5.552800      -1.115000      0.2886000    
 C   -6.288300      1.4500000E-02 -7.1000002E-02
 C   -5.712500       1.281400      2.4599999E-02
 C   -5.942700      -3.051900      -1.035100    
 C   -8.252400       1.096700     -0.8628000    
 H   -2.214900      0.5785000       2.388500    
 H    1.314300      0.9744000      -2.721300    
 H  -0.1401000      6.6900000E-02  -3.199900    
 H    1.269800     -0.7891000      -2.530500    
 H    2.542900       3.882900     -0.5143000    
 H    1.350200       3.084500      0.5242000    
 H    1.293500       2.862200      -1.243800    
 H    4.947800      -2.550300      0.2534000    
 H    6.790600       2.017400     -0.3931000    
 H    8.311200      0.1088000     -0.1882000    
 H   -3.672500      -1.860500       1.024300    
 H   -3.962400       2.410600      0.5509000    
 H   -6.223100       2.201800     -0.2368000    
 H   -6.441600      -4.021200     -0.9511000    
 H   -4.881400      -3.221100      -1.243400    
 H   -6.402100      -2.491600      -1.855500    
 H   -9.256400      0.8133000      -1.195400    
 H   -7.770500       1.605200      -1.704800    
 H   -8.378600       1.753600      4.4000000E-03


%chk=000063669-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063669

0 1
I 8.035105 -2.659363 2.008460
O 2.521162 -1.551312 0.667428
O 0.591407 1.944181 1.465892
O -5.574179 -1.652212 -1.734423
O -7.666755 -0.606647 -0.143479
N 2.487938 0.580789 -0.330636
N 1.095094 0.509695 -0.390153
N -0.965648 -0.278046 -0.948065
N 4.456416 1.905982 -0.667555
C 0.328381 -0.344611 -1.233651
C 3.147418 1.760321 -0.771776
C 3.166218 -0.535051 0.295722
C 4.620593 -0.334640 0.405211
C 0.222701 1.143946 0.568202
C -1.110353 0.621399 0.155175
C 5.211450 0.874356 -0.081765
C -2.276047 0.991565 0.795895
C 0.957912 -1.194848 -2.285448
C 2.300975 2.857130 -1.359209
C 5.418666 -1.346293 1.002097
C -3.643160 0.585789 0.526342
C 6.618245 1.044900 0.037336
C 6.802101 -1.146418 1.106897
C 7.410817 0.046705 0.625580
C -3.998946 -0.321584 -0.520391
C -4.685066 1.121176 1.339566
C -5.334308 -0.687777 -0.742905
C -6.367333 -0.155446 0.102166
C -6.026277 0.758016 1.131399
C -6.580150 -1.342768 -2.772767
C -8.735846 -0.152783 0.755424
H -2.127723 1.694339 1.629174
H 1.619717 -0.607684 -2.948370
H 0.163911 -1.662382 -2.886180
H 1.567392 -1.990833 -1.819292
H 2.974627 3.632955 -1.749152
H 1.650683 3.302308 -0.584647
H 1.649924 2.488366 -2.171765
H 4.925932 -2.253210 1.364161
H 7.061484 1.972442 -0.335884
H 8.491686 0.187489 0.714993
H -3.218399 -0.747541 -1.156284
H -4.434406 1.823314 2.143236
H -6.802982 1.175128 1.778699
H -6.538598 -2.196834 -3.465417
H -6.306942 -0.412890 -3.308386
H -7.587310 -1.247189 -2.335492
H -9.643013 -0.658024 0.394106
H -8.869286 0.944190 0.698264
H -8.528729 -0.453995 1.799363


