%chk=000079657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079657

0 1
 O    5.619300       2.333500     -3.8000001E-03
 O   -5.621900       2.327900     -3.0900000E-02
 O    5.626300      -2.323400      3.0000000E-03
 O   -5.624200      -2.327700     -3.9000001E-02
 N    5.692000      3.5999999E-03  6.8999999E-03
 N   -5.691900     -1.1000000E-03  2.1100000E-02
 C    1.429800      8.9999998E-04 -7.9999998E-04
 C   -1.429800     -3.0000001E-04 -2.9000000E-03
 C   0.7165000       1.228500     -2.0000001E-03
 C  -0.7176000       1.228000     -2.7999999E-03
 C   0.7174000      -1.227400     -1.3000000E-03
 C  -0.7167000      -1.227900     -3.1000001E-03
 C    2.866700      1.6000000E-03  7.9999998E-04
 C   -2.866700     -6.0000003E-04 -3.5999999E-03
 C    3.564200       1.212600      1.9999999E-04
 C   -3.565100       1.209900     -3.7000000E-03
 C    3.564200      -1.209000      2.7000001E-03
 C   -3.563500      -1.211700     -6.3000000E-03
 C    1.481800       2.418200     -2.2000000E-03
 C   -1.483700       2.417200     -3.5000001E-03
 C    1.483700      -2.416600      6.9999998E-04
 C   -1.482100      -2.417800     -5.5000000E-03
 C    2.873200       2.417200     -1.2000001E-03
 C   -2.875200       2.415000     -4.0000002E-03
 C    2.875000      -2.414400      2.9000000E-03
 C   -2.873300      -2.416600     -7.6000001E-03
 C    5.045300       1.246700      1.5000000E-03
 C   -5.046000       1.242400     -3.1000001E-03
 C    5.044000      -1.240500      4.9000001E-03
 C   -5.043400      -1.244500     -7.3000002E-03
 C    7.151100     -2.1100000E-02  9.8000001E-03
 C   -7.149800     -2.4000001E-03  8.0399998E-02
 H    1.012300       3.398000     -3.1999999E-03
 H   -1.014900       3.397400     -3.4000000E-03
 H    1.014800      -3.396700      1.0000000E-03
 H   -1.012500      -3.397600     -6.0999999E-03
 H    3.390500       3.372900     -1.5000000E-03
 H   -3.393400       3.370200     -3.5999999E-03
 H    3.393900      -3.369200      4.4999998E-03
 H   -3.391500      -3.371900     -8.9999996E-03
 H    7.584200      0.9816000      3.2200001E-02
 H    7.494300     -0.5443000     -0.8885000    
 H    7.492600     -0.5827000      0.8852000    
 H   -7.528800      0.9125000      0.5442000    
 H   -7.512300     -0.8672000      0.6439000    
 H   -7.528700     -6.5800004E-02 -0.9444000    


%chk=000079657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079657

0 1
O 5.757443 2.339415 0.014057
O -5.753578 2.348803 0.036490
O 5.765267 -2.331789 -0.020123
O -5.768887 -2.322313 -0.011766
N 5.753591 -0.002608 -0.002471
N -5.753614 0.006881 0.018817
C 1.443602 0.000002 0.001573
C -1.443547 0.002384 0.005941
C 0.738583 1.259598 0.012526
C -0.736420 1.260799 0.015598
C 0.736481 -1.258618 -0.007696
C -0.738562 -1.257398 -0.006397
C 2.886723 -0.001099 -0.000104
C -2.886660 0.003682 0.008799
C 3.608278 1.233480 0.008202
C -3.606175 1.239415 0.021597
C 3.605657 -1.236959 -0.010122
C -3.607700 -1.230921 -0.001708
C 1.493374 2.457687 0.020214
C -1.489214 2.460104 0.027848
C 1.489387 -2.457935 -0.017522
C -1.493507 -2.455435 -0.016811
C 2.904341 2.448648 0.018053
C -2.900190 2.453402 0.030917
C 2.900485 -2.451099 -0.018690
C -2.904589 -2.446228 -0.014759
C 5.095463 1.258789 0.006494
C -5.093327 1.267105 0.025998
C 5.091422 -1.258169 -0.011029
C -5.093503 -1.249695 0.001113
C 7.235212 -0.030636 -0.003285
C -7.235296 -0.018421 0.024495
H 0.987332 3.425965 0.028122
H -0.981545 3.427527 0.035527
H 0.981753 -3.425393 -0.024290
H -0.987523 -3.423737 -0.026741
H 3.477539 3.380858 0.024026
H -3.471840 3.386520 0.040775
H 3.472532 -3.384089 -0.026136
H -3.478224 -3.378236 -0.023221
H 7.589506 1.009435 -0.000353
H 7.598780 -0.562749 -0.897326
H 7.599877 -0.567535 0.887539
H -7.587636 1.022282 0.033659
H -7.596661 -0.559071 0.914277
H -7.604327 -0.545248 -0.870505


