%chk=000148326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148326

0 1
 O    2.195700       1.158300     -3.1999999E-03
 O   -1.955800       1.453300      0.2236000    
 O    2.643200     -0.5479000      -1.489500    
 O   -2.681200     -0.4572000       1.293400    
 N    1.296100       4.257200     -0.4861000    
 C   0.5855000       2.944000     -0.5520000    
 C    1.618800       1.927700      -1.052200    
 C    2.690100       2.797300      -1.693100    
 C    2.712300       4.018600     -0.7875000    
 C  -2.8899999E-02   2.735100      0.7948000    
 C    1.071100       4.791700      0.8727000    
 C   0.2470000       3.773300       1.588800    
 C  -0.8588000       1.547600       1.120500    
 C    2.674800     -7.4000001E-02 -0.3619000    
 C    3.247400     -0.7549000      0.8584000    
 C   -2.802100      0.3921000      0.4211000    
 C    3.835100      -2.109000      0.5548000    
 C   -3.904900      0.4379000     -0.6097000    
 C    3.035000      -3.249300      0.6301000    
 C    5.178800      -2.222300      0.1980000    
 C   -4.908400     -0.6743000     -0.4471000    
 C    3.578700      -4.502600      0.3489000    
 C    5.722400      -3.475700     -8.3200000E-02
 C   -4.715800      -1.889100      -1.105200    
 C   -6.029700     -0.4895000      0.3619000    
 C    4.922300      -4.615800     -7.7999998E-03
 C   -5.644500      -2.918900     -0.9547000    
 C   -6.958300      -1.519500      0.5124000    
 C   -6.765600      -2.734100     -0.1458000    
 H  -0.2042000       3.058000      -1.305900    
 H    1.147800       1.274300      -1.797100    
 H    3.671500       2.315900      -1.739300    
 H    2.388200       3.087600      -2.706800    
 H    3.296100       3.783300      0.1116000    
 H    3.167000       4.883700      -1.279000    
 H   0.5167000       5.733400      0.8013000    
 H    1.998800       4.986600       1.421900    
 H  -9.2799999E-02   3.882700       2.608400    
 H  -0.2491000      0.6399000       1.048100    
 H   -1.239900       1.621400       2.146500    
 H    4.021700     -0.1083000       1.288400    
 H    2.451000     -0.8586000       1.605200    
 H   -4.415600       1.405300     -0.5324000    
 H   -3.452300      0.3819000      -1.607000    
 H    1.986200      -3.173700      0.9047000    
 H    5.811800      -1.341200      0.1337000    
 H    2.955700      -5.390400      0.4070000    
 H    6.768400      -3.563900     -0.3617000    
 H   -3.845200      -2.046000      -1.736500    
 H   -6.189800      0.4514000      0.8815000    
 H    5.345500      -5.591700     -0.2271000    
 H   -5.494400      -3.865000      -1.466700    
 H   -7.831100      -1.376000       1.142700    
 H   -7.488600      -3.536100     -2.8200001E-02


%chk=000148326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148326

0 1
O 1.650933 1.012860 -0.144049
O -1.972617 1.345938 0.340298
O 1.879017 -0.563831 -1.849002
O -1.189335 -0.852445 0.154217
N 1.279457 4.305573 -0.296882
C 0.360753 3.110976 -0.433919
C 1.187303 2.012954 -1.158467
C 2.392142 2.781059 -1.742415
C 2.653808 3.883324 -0.695373
C -0.138529 2.849073 0.990010
C 1.130615 4.863386 1.080889
C 0.263987 3.850374 1.814262
C -0.934487 1.642732 1.387468
C 1.916018 -0.277190 -0.632779
C 2.175216 -1.230806 0.527231
C -1.999089 0.046343 -0.173875
C 3.262422 -2.266317 0.271748
C -3.151444 -0.121094 -1.156263
C 3.161612 -3.190893 -0.799936
C 4.389703 -2.333155 1.128162
C -4.329531 -0.855188 -0.508922
C 4.167304 -4.160924 -1.004941
C 5.396588 -3.305112 0.925282
C -4.200692 -2.209972 -0.108638
C -5.562134 -0.189251 -0.300673
C 5.287461 -4.223813 -0.142979
C -5.289828 -2.886353 0.483519
C -6.653426 -0.866638 0.291045
C -6.520638 -2.217804 0.683947
H -0.505874 3.359833 -1.080725
H 0.620306 1.464726 -1.929091
H 3.256269 2.121484 -1.920129
H 2.093735 3.235083 -2.704913
H 3.230513 3.464718 0.164218
H 3.223098 4.732283 -1.113711
H 0.647457 5.862598 1.063083
H 2.121864 4.994066 1.565338
H 0.007569 3.944270 2.874439
H -0.290497 0.749887 1.473306
H -1.486401 1.803042 2.328714
H 2.400033 -0.634528 1.426797
H 1.199168 -1.727436 0.706423
H -3.467134 0.870894 -1.515374
H -2.765796 -0.705659 -2.010909
H 2.303904 -3.135876 -1.477960
H 4.480151 -1.622822 1.959462
H 4.077412 -4.868085 -1.837431
H 6.260979 -3.343573 1.598019
H -3.244789 -2.726646 -0.253223
H -5.668624 0.859979 -0.601197
H 6.065395 -4.979049 -0.302700
H -5.179215 -3.933382 0.787370
H -7.602643 -0.340776 0.443623
H -7.365768 -2.744339 1.141307


