%chk=000156448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156448

0 1
 O   0.9709000      -2.721200     -7.1000000E-03
 O  -0.2423000       2.662700      7.0299998E-02
 O    2.977400     -0.8538000      0.1390000    
 O    2.370700       1.833300      0.1819000    
 N   -3.368100     -0.1785000     -0.5571000    
 C   -1.783000      -2.010700     -0.1554000    
 C  -0.6855000     -0.9854000     -3.7599999E-02
 C  -0.9951000      0.3857000     -3.7599999E-02
 C   -3.167700      -1.439700      0.1672000    
 C   -2.434200      0.8476000     -6.0500000E-02
 C   0.6536000      -1.393800      1.1700000E-02
 C   3.9500002E-02   1.326900      4.9100000E-02
 C   -4.749400      0.2830000     -0.4233000    
 C    1.676100     -0.4484000      8.6400002E-02
 C    1.369300      0.9103000      0.1074000    
 C    1.689400      -3.229100       1.113700    
 C  -0.4493000       3.258200       1.348100    
 C    3.655800      -1.012600      -1.104600    
 C    2.472000       2.765400     -0.8919000    
 H   -1.778400      -2.400000      -1.181500    
 H   -1.591500      -2.849900      0.5238000    
 H   -3.919500      -2.180500     -0.1320000    
 H   -3.273800      -1.289000       1.250200    
 H   -2.710000       1.151500      0.9576000    
 H   -2.516400       1.723500     -0.7157000    
 H   -4.901000       1.211300     -0.9851000    
 H   -5.028300      0.4618000      0.6215000    
 H   -5.442500     -0.4544000     -0.8432000    
 H    1.531700      -2.630200       2.017700    
 H    2.755600      -3.291600      0.8788000    
 H    1.329000      -4.242900       1.312300    
 H   0.4788000       3.245800       1.928200    
 H   -1.240300       2.745800       1.903300    
 H  -0.7492000       4.298600       1.195500    
 H    3.157700      -1.766100      -1.722800    
 H    4.675000      -1.349900     -0.8975000    
 H    3.705700     -6.0600001E-02  -1.642000    
 H    2.041300       2.378100      -1.822000    
 H    3.533900       2.963200      -1.066000    
 H    1.994300       3.709300     -0.6151000    


%chk=000156448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156448

0 1
O 0.771693 -2.892028 -0.031097
O -0.361948 2.635441 -0.017936
O 2.919483 -1.086985 0.041569
O 2.370194 1.771026 0.054378
N -3.506801 -0.229656 -0.462065
C -1.931187 -2.094028 -0.078704
C -0.808422 -1.071046 -0.041386
C -1.103696 0.314951 -0.069275
C -3.280039 -1.468150 0.316352
C -2.537254 0.825104 -0.101953
C 0.543166 -1.500183 0.013742
C -0.043835 1.247590 -0.020725
C -4.892501 0.262201 -0.383661
C 1.616315 -0.560425 -0.002737
C 1.313147 0.829208 -0.014476
C 1.574173 -3.473487 1.066589
C -0.078728 3.308253 1.271177
C 3.950020 -0.496396 -0.832726
C 2.467171 2.685282 -1.110317
H -2.012570 -2.507205 -1.102281
H -1.686234 -2.946057 0.581187
H -4.099792 -2.175721 0.093710
H -3.301129 -1.269418 1.421058
H -2.779653 1.273461 0.902220
H -2.615311 1.652322 -0.829990
H -5.012808 1.143052 -1.040370
H -5.199144 0.563189 0.651906
H -5.587541 -0.522134 -0.732610
H 1.081811 -3.290822 2.042076
H 2.592002 -3.051228 1.072380
H 1.601644 -4.554330 0.858183
H 0.996445 3.239307 1.517411
H -0.679483 2.854021 2.082340
H -0.374946 4.359211 1.128822
H 3.568728 -0.383249 -1.866078
H 4.778327 -1.222327 -0.821937
H 4.281157 0.478520 -0.441336
H 2.720083 2.113636 -2.024498
H 3.281965 3.384640 -0.866371
H 1.517697 3.228159 -1.256873


