%chk=000170533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170533

0 1
 O   0.1510000      -3.536700     -0.1759000    
 O   0.1789000       3.161200      -1.261700    
 O    2.043000       3.927400      5.8100000E-02
 O   -3.737700      0.6163000      0.9410000    
 O   -4.506500      0.4424000      -1.336300    
 O  -0.4855000      0.4832000       2.146000    
 O   -1.604100      -1.392300       2.874200    
 N    2.644500      -2.464600     -0.5563000    
 C    1.458900      -1.617100     -0.8107000    
 C    1.673200     -0.1320000     -0.5596000    
 C   0.2753000      -2.135400      2.2100000E-02
 C    3.316000      -2.104400      0.6981000    
 C    2.765900      0.3225000      0.2220000    
 C    3.789900     -0.6506000      0.7471000    
 C   -1.007900      -1.449500     -0.3588000    
 C   0.7597000      0.7971000      -1.089100    
 C    3.566600      -2.475100      -1.692300    
 C    2.943800       1.695300      0.4595000    
 C   0.9625000       2.136400     -0.8282000    
 C    2.024300       2.573100     -7.4699998E-02
 C   -1.731500     -0.7290000      0.5876000    
 C   -1.448800      -1.555100      -1.685100    
 C   -2.898400     -0.1246000      0.1671000    
 C   -3.337600     -0.2239000      -1.133200    
 C   -2.634100     -0.9333000      -2.084900    
 C   0.8693000       4.293700     -0.6957000    
 C   -1.291300     -0.6078000       1.969700    
 C   -4.753900      0.9728000     -1.8300001E-02
 C   1.4400000E-02  0.7100000       3.468200    
 H    1.223400      -1.740800      -1.876100    
 H   0.4845000      -2.002900       1.087600    
 H    4.167300      -2.773400      0.8770000    
 H    2.635500      -2.289200       1.538400    
 H    4.705300     -0.5389000      0.1529000    
 H    4.038600     -0.3982000       1.785100    
 H  -3.7999999E-02  0.5249000      -1.763000    
 H    3.074100      -2.892600      -2.577800    
 H    4.425300      -3.123500      -1.484800    
 H    3.942700      -1.479900      -1.951800    
 H    3.783900       2.058100       1.042800    
 H   0.9994000      -3.945800      6.5800004E-02
 H  -0.8965000      -2.133700      -2.420600    
 H   -2.985800      -1.012700      -3.107100    
 H   0.1799000       4.829700     -3.3300001E-02
 H    1.169400       4.964300      -1.509000    
 H   -4.806400       2.065600     -8.3899997E-02
 H   -5.719500      0.5947000      0.3366000    
 H  -0.8152000      0.8582000       4.165700    
 H   0.6262000       1.615700       3.449200    
 H   0.6396000     -0.1309000       3.782300    


%chk=000170533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170533

0 1
O 0.294438 -3.696721 -0.680826
O 0.565322 3.373944 -1.085146
O 2.309398 3.893125 0.476628
O -3.582092 0.896047 0.747469
O -4.778251 0.119083 -1.175827
O -1.178154 1.146375 1.981029
O -0.048478 -0.840660 2.367618
N 2.675683 -2.510617 -0.768584
C 1.494878 -1.603090 -0.923062
C 1.776790 -0.159301 -0.512539
C 0.304640 -2.325240 -0.160496
C 3.285548 -2.364269 0.585001
C 2.843179 0.151109 0.377629
C 3.797336 -0.931743 0.875205
C -1.055135 -1.685441 -0.404204
C 0.960989 0.877087 -1.058850
C 3.651471 -2.400925 -1.879545
C 3.080876 1.502282 0.771502
C 1.209889 2.184144 -0.652077
C 2.244298 2.490683 0.256822
C -1.577784 -0.643430 0.448843
C -1.791044 -2.122004 -1.528140
C -2.836325 -0.112524 0.091433
C -3.550129 -0.575911 -1.036444
C -3.055458 -1.576768 -1.869760
C 1.095314 4.435370 -0.193906
C -0.854732 -0.173626 1.668257
C -4.901415 0.928148 0.059373
C -0.523540 1.686988 3.194456
H 1.210995 -1.631437 -1.993976
H 0.517163 -2.329782 0.921150
H 4.109882 -3.094458 0.675986
H 2.520639 -2.639768 1.331858
H 4.786455 -0.778638 0.396152
H 3.961479 -0.822750 1.964425
H 0.162107 0.649615 -1.769918
H 3.151753 -2.658850 -2.829797
H 4.470393 -3.123638 -1.714482
H 4.095612 -1.386265 -1.988198
H 3.901129 1.752726 1.451244
H 1.282226 -3.877898 -0.804890
H -1.365877 -2.940091 -2.115013
H -3.622719 -1.929007 -2.734817
H 0.336032 4.673921 0.575987
H 1.382121 5.305960 -0.802756
H -5.134249 1.969696 -0.210888
H -5.661547 0.471476 0.721291
H -0.744290 1.050875 4.068054
H -0.952171 2.691752 3.316311
H 0.568959 1.733147 3.046318


