%chk=000178957.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178957

0 1
 O    5.055100       1.319200     -0.6055000    
 O    4.601100       3.680000       2.061000    
 O    7.806100       1.432200     -5.7000001E-03
 O    2.048400      -4.206400      6.0000003E-04
 O   -9.729700      4.7499999E-02  0.2733000    
 N    2.974300      0.1883000     -0.5136000    
 N   0.7535000      0.9400000     -0.7409000    
 N    1.360800      -1.368100     -0.4066000    
 N    4.874400      -1.298900     -0.2079000    
 N    4.287900      -3.612400      5.8300000E-02
 N    6.529400      -2.882800      9.6500002E-02
 C    3.626100       1.492300     -0.6431000    
 C    3.251700       2.480000      0.4558000    
 C    4.459600       2.457900       1.366100    
 C    5.588200       2.221500      0.3767000    
 C    6.830800       1.617300       1.005300    
 C    3.576000      -1.008600     -0.3228000    
 C    1.632700     -9.0599999E-02 -0.5560000    
 C    2.589100      -1.948500     -0.2589000    
 C   -2.712500     -2.2000000E-03  5.1899999E-02
 C   -3.661300     -0.9502000      0.7553000    
 C  -0.6582000      0.9469000     -0.6923000    
 C   -3.433700       1.003000     -0.6309000    
 C   -5.009400     -0.3643000      0.3911000    
 C   -4.848200      0.7800000     -0.4220000    
 C   -1.329500     -4.1700002E-02  2.9400000E-02
 C    2.918000      -3.345500     -5.7599999E-02
 C   -2.767400       1.983600      -1.346700    
 C   -1.369900       1.949400      -1.373500    
 C    5.182800      -2.644000     -1.4500000E-02
 C   -6.263600     -0.8196000      0.7581000    
 C   -5.952500       1.481600     -0.8762000    
 C   -7.376600     -0.1122000      0.3001000    
 C   -7.222600       1.026800     -0.5089000    
 C   -8.712700     -0.5590000      0.6636000    
 C   -8.898000      -1.792400       1.540200    
 H    3.354500       1.869500      -1.635700    
 H    2.330800       2.255100       1.001500    
 H    3.124700       3.482500      2.7200000E-02
 H    4.369900       1.635000       2.085200    
 H    5.856600       3.149500     -0.1449000    
 H    6.620600      0.6361000       1.441400    
 H    7.247900       2.263700       1.783500    
 H    5.425500       3.632300       2.574100    
 H    1.121700       1.845100      -1.024000    
 H   -3.505900     -0.9216000       1.837600    
 H   -3.559700      -1.964700      0.3590000    
 H    5.613600     -0.6083000     -0.2743000    
 H  -0.8176000     -0.8148000      0.5898000    
 H    8.025800       2.307400     -0.3682000    
 H   -3.303000       2.763500      -1.877700    
 H  -0.8372000       2.714600      -1.934300    
 H   -6.338500      -1.701900       1.383000    
 H   -5.849200       2.362300      -1.501100    
 H   -8.089000       1.578700     -0.8664000    
 H    7.206600      -2.129900      4.1200001E-02
 H    6.885900      -3.821400      0.2398000    
 H   -8.433800      -1.635500       2.517300    
 H   -8.487200      -2.675100       1.043300    
 H   -9.968100      -1.961300       1.698100    


%chk=000178957-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178957

0 1
O 5.186705 1.501935 -0.882664
O 4.666283 4.071502 1.616659
O 7.444017 0.360046 0.330334
O 2.184644 -4.115755 0.508500
O -9.836772 0.121329 0.587837
N 3.091487 0.339131 -0.645956
N 0.764476 1.053442 -0.923128
N 1.433932 -1.212104 -0.262692
N 5.052880 -1.206206 -0.280814
N 4.442142 -3.443747 0.427809
N 6.698727 -2.772080 0.310641
C 3.729548 1.644079 -0.969469
C 3.363166 2.773214 0.017854
C 4.455598 2.716479 1.109667
C 5.701123 2.164654 0.354693
C 6.531636 1.157400 1.170591
C 3.709228 -0.886481 -0.345748
C 1.686433 0.055618 -0.608746
C 2.695909 -1.816702 -0.085356
C -2.714326 -0.073321 -0.108032
C -3.661009 -1.141138 0.425554
C -0.646544 1.001325 -0.769478
C -3.458528 1.081667 -0.501320
C -5.027980 -0.477325 0.305448
C -4.884076 0.835718 -0.247575
C -1.319843 -0.135628 -0.238505
C 3.031448 -3.204086 0.293587
C -2.782781 2.201937 -1.038233
C -1.382760 2.157580 -1.167896
C 5.347669 -2.512643 0.160354
C -6.292785 -0.972432 0.647941
C -6.024421 1.649381 -0.457312
C -7.445886 -0.158556 0.440996
C -7.291922 1.146861 -0.112475
C -8.828317 -0.623947 0.785026
C -9.010811 -2.018101 1.382392
H 3.502627 1.899461 -2.022051
H 2.352472 2.675954 0.441769
H 3.451975 3.752091 -0.486490
H 4.159099 2.023713 1.923917
H 6.321932 3.018439 0.019700
H 5.882852 0.405395 1.648060
H 7.093848 1.698748 1.959179
H 4.956281 4.048292 2.561681
H 1.114130 1.871671 -1.422170
H -3.420092 -1.418287 1.470338
H -3.596737 -2.075426 -0.165707
H 5.790560 -0.541883 -0.546309
H -0.740355 -1.021984 0.032513
H 8.055629 0.954636 -0.172106
H -3.330974 3.097310 -1.350638
H -0.848323 3.024794 -1.579001
H -6.394631 -1.977921 1.070831
H -5.926516 2.655167 -0.880981
H -8.199636 1.742160 -0.258182
H 7.384416 -2.016825 0.311413
H 6.950030 -3.710058 0.611023
H -8.449274 -2.122235 2.329539
H -8.641709 -2.798976 0.691310
H -10.080795 -2.186384 1.576980


