%chk=000093369.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093369

0 1
 O   -3.549500     -0.6848000     -0.1351000    
 O   -1.975800       1.001300      0.5248000    
 O    2.694900     -0.9795000       1.221300    
 O    2.451600      0.9142000     -0.2312000    
 O   0.3287000      0.1648000      -3.194900    
 N  -3.3100002E-02 -0.5410000      -1.237500    
 N  -0.2258000     -0.7182000      -2.529700    
 C   -1.143700      -1.050200     -0.4384000    
 C    1.232800      -1.106100     -0.7433000    
 C   -2.296800     -3.9299998E-02 -0.4063000    
 C    1.822700     -0.2263000      0.3661000    
 C   -3.609600      -1.374400       1.105900    
 C   -2.733700       2.183000      0.3008000    
 C    3.809500      -1.569900      0.5667000    
 C    2.619200       1.985200      0.6884000    
 C   -4.979300      -2.001600       1.255700    
 C   -2.334400       3.226100       1.322600    
 C    4.635000      -2.327300       1.584700    
 C    3.287300       3.144000     -2.0600000E-02
 H   -1.485700      -2.027000     -0.8106000    
 H  -0.8256000      -1.216000      0.6001000    
 H    1.097500      -2.143100     -0.4052000    
 H    1.971900      -1.150200      -1.557200    
 H   -2.419600      0.4034000      -1.402500    
 H    1.012400      0.1203000       1.019000    
 H   -2.858600      -2.168900       1.146800    
 H   -3.432600     -0.6744000       1.929300    
 H   -2.535600       2.564800     -0.7069000    
 H   -3.802500       1.962300      0.3948000    
 H    4.422500     -0.7911000      0.1009000    
 H    3.480700      -2.272600     -0.2047000    
 H    3.239400       1.658600       1.530100    
 H    1.641900       2.304100       1.068000    
 H   -5.061900      -2.539600       2.204200    
 H   -5.175700      -2.699600      0.4351000    
 H   -5.760300      -1.235100       1.215500    
 H   -2.897900       4.152000       1.177500    
 H   -1.264500       3.447800       1.248900    
 H   -2.513800       2.858500       2.338400    
 H    5.505300      -2.793400       1.114300    
 H    4.034200      -3.106000       2.066300    
 H    4.979900      -1.655400       2.377700    
 H    3.430700       3.988400      0.6593000    
 H    2.683700       3.474400     -0.8723000    
 H    4.261500       2.841700     -0.4192000    


%chk=000093369-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093369

0 1
O -3.501766 -0.193095 -0.424702
O -1.519949 0.345280 0.845861
O 2.647504 -0.736449 1.348447
O 1.970860 0.728772 -0.462327
O 1.184672 -1.129399 -3.231410
N -0.007005 -1.334477 -1.315092
N 0.018364 -1.157228 -2.701838
C -1.369876 -1.450648 -0.772129
C 1.214685 -1.547514 -0.519566
C -2.045403 -0.099373 -0.438157
C 1.588500 -0.369528 0.407037
C -4.068534 -1.163605 0.545533
C -1.881745 1.747179 1.174152
C 3.928572 -1.165099 0.731622
C 2.101558 2.023785 0.240760
C -5.563328 -0.865306 0.649049
C -1.436221 2.013946 2.610606
C 5.002866 -1.054904 1.813074
C 2.566227 3.051635 -0.789132
H -1.993993 -1.943992 -1.537308
H -1.336722 -2.079812 0.134125
H 1.092115 -2.451078 0.105514
H 2.025544 -1.705988 -1.255107
H -1.843527 0.642730 -1.235485
H 0.745220 -0.086075 1.062864
H -3.900009 -2.197269 0.178317
H -3.559046 -1.045139 1.522144
H -1.371135 2.423456 0.455580
H -2.975100 1.874432 1.056192
H 4.153170 -0.513483 -0.135141
H 3.836341 -2.211889 0.375293
H 2.827567 1.920102 1.071806
H 1.116205 2.301947 0.673004
H -6.051048 -1.578318 1.338852
H -6.045038 -0.950896 -0.340228
H -5.731315 0.158434 1.025931
H -1.670845 3.055806 2.895676
H -0.348675 1.859668 2.723816
H -1.953656 1.336085 3.311206
H 5.979691 -1.392903 1.420620
H 4.742226 -1.678974 2.685650
H 5.104386 -0.010307 2.155402
H 2.665173 4.048654 -0.321786
H 1.844981 3.121948 -1.621510
H 3.544810 2.762788 -1.209615


