%chk=000168664.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168664

0 1
 O   0.9197000      -2.895800      0.1839000    
 O    2.206900      -3.200300       2.018800    
 O   -1.225700       2.004000       2.093400    
 O   -1.973400      -1.217800      -2.114000    
 O   -4.211100     -5.8499999E-02 -0.9855000    
 N    2.623400       1.903600      -1.273000    
 N    1.028100      0.6853000      0.8043000    
 N    2.421200      -1.239400      0.8481000    
 C    2.932100      0.6543000     -0.5821000    
 C    1.849900     -0.2286000     -3.3000000E-02
 C    2.883500       1.949100      0.1595000    
 C    1.730800       1.928300       1.122600    
 C   0.8420000     -0.7949000      -1.070200    
 C  -0.3045000      0.5532000      0.4786000    
 C  -0.4827000     -0.2746000     -0.5523000    
 C    3.620300       2.537200      -2.102200    
 C   0.9307000      -2.310700      -1.129100    
 C    1.874500      -2.487500       1.074100    
 C   -1.410700       1.260200       1.136800    
 C   -1.808900     -0.5068000      -1.129400    
 C   -2.779100       1.004400      0.5846000    
 C   -2.953400      0.1812000     -0.4654000    
 C   -3.901200       1.721500       1.279400    
 C   -4.812500      -1.167400     -0.3478000    
 H    3.872700      0.1749000     -0.8082000    
 H    3.789000       2.409500      0.5230000    
 H    2.092100       1.893000       2.155100    
 H    1.101500       2.814600      0.9907000    
 H    1.009900     -0.3781000      -2.070900    
 H    3.152100     -0.9380000       1.485600    
 H    4.647400       2.360100      -1.761700    
 H    3.455700       3.619000      -2.131300    
 H    3.542800       2.161400      -3.127300    
 H   9.8600000E-02  -2.746100      -1.690400    
 H    1.854000      -2.624900      -1.631400    
 H   -3.708500       2.799600       1.299800    
 H   -3.995700       1.366700       2.311000    
 H   -4.868500       1.580200      0.7884000    
 H   -4.232000      -2.082500     -0.5097000    
 H   -5.802900      -1.317100     -0.7881000    
 H   -4.945900     -0.9962000      0.7260000    


%chk=000168664-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168664

0 1
O 0.942452 -2.985071 0.463742
O 2.321511 -3.102157 2.314282
O -1.038678 2.374912 2.080619
O -2.091071 -1.473733 -1.735124
O -4.284431 -0.126973 -0.355026
N 2.407454 1.871994 -1.234794
N 1.094373 0.739032 0.886907
N 2.537014 -1.284752 0.861568
C 2.965291 0.638451 -0.574303
C 1.882649 -0.256147 0.036610
C 2.963128 1.975334 0.166804
C 1.872857 1.949663 1.241313
C 0.796507 -0.895087 -0.900453
C -0.247022 0.626547 0.610647
C -0.508839 -0.344172 -0.343290
C 3.238388 2.463541 -2.316273
C 0.907302 -2.425992 -0.915031
C 1.954277 -2.487794 1.292125
C -1.328176 1.451541 1.240845
C -1.839032 -0.645539 -0.781220
C -2.706561 1.131829 0.854650
C -2.957304 0.120770 -0.072739
C -3.807890 1.927972 1.515488
C -4.765235 -1.240027 -1.208444
H 3.884339 0.177778 -0.952774
H 3.890744 2.533139 0.338019
H 2.317644 1.861343 2.250894
H 1.213174 2.830949 1.233007
H 0.936827 -0.535204 -1.938193
H 3.297951 -0.967317 1.468169
H 4.336697 2.380728 -2.148860
H 2.977307 3.531513 -2.408458
H 2.989878 1.960332 -3.266435
H 0.016520 -2.870883 -1.381120
H 1.822741 -2.751735 -1.445170
H -3.676020 3.007434 1.317673
H -3.765821 1.809194 2.613707
H -4.797388 1.611957 1.155731
H -4.475190 -1.080494 -2.257461
H -5.858262 -1.202258 -1.080872
H -4.357904 -2.204517 -0.866060


