%chk=000170384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170384

0 1
 O  -0.5906000      -1.910200      0.3942000    
 O  -0.3127000      -3.952600     -0.6490000    
 N    3.000800      0.6735000      -1.565400    
 C   0.1272000      0.3469000     -0.3904000    
 C  -0.1997000      -1.173500     -0.7703000    
 C   0.5436000       1.052600      -1.749900    
 C    1.267600      0.3136000      0.6719000    
 C   -1.148600       1.085500      0.1243000    
 C    1.843400      0.5905000      -2.458900    
 C   -1.259100      -1.394400      -1.873500    
 C    2.120600       1.466600      -3.684600    
 C    1.336100       1.348400       1.555500    
 C   -1.760900      0.5831000       1.231500    
 C    2.121400     -0.7478000      0.6466000    
 C   -1.562300       2.181200     -0.5693000    
 C   -2.603900     -0.7733000      -1.506900    
 C    2.356900       1.318800       2.505800    
 C   -2.900900       1.242500       1.691200    
 C    3.142000     -0.7775000       1.596900    
 C   -2.702200       2.840800     -0.1097000    
 C  -0.8374000      -3.235300      0.1921000    
 C    3.259800      0.2560000       2.526400    
 C   -3.371400       2.371400       1.020500    
 C   -1.869800      -3.706600       1.171000    
 H   0.6806000      -1.655500      -1.204200    
 H  -0.2612000       1.024900      -2.494100    
 H   0.7559000       2.109100      -1.523500    
 H    1.731300     -0.4460000      -2.792500    
 H   -1.431000      -2.454600      -2.079300    
 H  -0.9210000     -0.9812000      -2.829500    
 H    1.285600       1.412600      -4.391500    
 H    3.020900       1.131800      -4.211900    
 H    2.260700       2.518100      -3.409600    
 H   0.6733000       2.205300       1.545800    
 H   -1.398400     -0.2611000       1.802800    
 H    2.127200      -1.573900     -4.6999998E-02
 H   -1.126900       2.625800      -1.450900    
 H   -2.923200     -0.9853000     -0.4862000    
 H   -3.366000      -1.243000      -2.143800    
 H   -2.671100      0.2805000      -1.765200    
 H    3.148000       1.640600      -1.278000    
 H    3.843700      0.3971000      -2.067500    
 H    2.453900       2.127500       3.224400    
 H   -3.416400      0.8833000       2.577200    
 H    3.850300      -1.601000       1.609900    
 H   -3.070900       3.719800     -0.6308000    
 H    4.056700      0.2347000       3.264100    
 H   -4.257800       2.886100       1.379600    
 H   -2.051100      -4.774700       1.020500    
 H   -1.509000      -3.555900       2.191500    
 H   -2.806900      -3.167900       1.010500    


%chk=000170384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170384

0 1
O -0.866613 -1.845884 0.126040
O 0.143048 -3.777019 -0.717792
N 2.795800 -0.185828 -1.876990
C 0.053103 0.390314 -0.492876
C -0.327650 -1.035593 -1.021755
C 0.683654 1.181351 -1.703490
C 1.112182 0.313372 0.654578
C -1.181732 1.162223 0.070751
C 1.720321 0.488485 -2.631577
C -1.345835 -1.146409 -2.185624
C 2.241635 1.532617 -3.660322
C 1.383780 1.494792 1.396222
C -1.803824 0.683101 1.257822
C 1.850944 -0.852740 0.980902
C -1.705022 2.348249 -0.506322
C -2.835009 -0.899322 -1.853382
C 2.351921 1.517358 2.423747
C -2.918637 1.336369 1.819771
C 2.811700 -0.839363 2.017423
C -2.820695 3.012446 0.058299
C -0.561952 -3.207614 0.148001
C 3.070084 0.343460 2.746461
C -3.440354 2.507193 1.220647
C -1.184633 -3.862983 1.362779
H 0.613356 -1.520524 -1.342116
H -0.130225 1.508589 -2.376149
H 1.139152 2.105449 -1.293532
H 1.196389 -0.302103 -3.207032
H -1.238145 -2.172231 -2.588711
H -1.030546 -0.465820 -2.999102
H 1.416011 1.977579 -4.249308
H 2.944135 1.057086 -4.370256
H 2.778479 2.351921 -3.144672
H 0.815691 2.407356 1.179425
H -1.404136 -0.213660 1.737355
H 1.720312 -1.773001 0.407079
H -1.254151 2.782950 -1.402805
H -3.156806 -1.523940 -1.002220
H -3.458804 -1.164396 -2.727220
H -3.040415 0.150978 -1.592092
H 3.209535 0.378540 -1.127954
H 3.508589 -0.619731 -2.473259
H 2.535836 2.446118 2.975993
H -3.377906 0.935496 2.730838
H 3.365601 -1.757128 2.246854
H -3.199092 3.926819 -0.413560
H 3.816098 0.350272 3.549267
H -4.304832 3.019715 1.657606
H -1.027733 -4.950457 1.320986
H -0.721942 -3.459633 2.281383
H -2.263563 -3.637521 1.410686


