%chk=000178850.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178850

0 1
 O   -2.704100       1.688800      0.5667000    
 O    4.817100     -0.7860000       1.645600    
 O   -1.996500      -4.014700      7.7999998E-03
 O   -3.973800      5.2200001E-02 -0.4159000    
 O   -3.701200      -2.487200      0.1376000    
 N   0.4445000     -0.8927000     -0.3145000    
 N  -0.1957000      -2.070700     -0.2208000    
 C  -0.3817000      0.1944000     -0.2594000    
 C   -1.652900     -0.3145000     -0.1201000    
 C   7.1999997E-02   1.561500     -0.3383000    
 C    1.833500     -0.8756000     -0.4531000    
 C   -1.476600      -1.711000     -0.1023000    
 C    2.634500     -0.8384000      0.6803000    
 C   0.4109000       2.251600      0.8255000    
 C   0.1712000       2.193700      -1.577900    
 C   -2.863000      0.4479000     -1.8999999E-02
 C    2.394400     -0.8973000      -1.723100    
 C    4.022400     -0.8225000      0.5412000    
 C   -2.486500      -2.724300      2.3399999E-02
 C    3.782100     -0.8814000      -1.862200    
 C   0.8486000       3.573900      0.7500000    
 C   0.6091000       3.515900      -1.653300    
 C    4.596100     -0.8442000     -0.7301000    
 C   0.9478000       4.205900     -0.4893000    
 C   -3.874100       2.503800      0.6988000    
 C   -3.492200       3.811700       1.358600    
 C    4.165000     -0.7655000       2.914400    
 C   -2.950800      -5.075600      0.1295000    
 H    2.135300     -0.8234000       1.643900    
 H   0.3389000       1.773400       1.799600    
 H  -8.9400001E-02   1.669900      -2.494400    
 H    1.770900     -0.9266000      -2.612900    
 H    4.228800     -0.8979000      -2.851900    
 H    1.111800       4.111300       1.656400    
 H   0.6864000       4.008200      -2.618300    
 H    5.676500     -0.8319000     -0.8449000    
 H    1.288500       5.235400     -0.5481000    
 H   -4.614100       1.979800       1.313300    
 H   -4.295500       2.697600     -0.2936000    
 H   -2.739300       4.337800      0.7622000    
 H   -3.047700       3.631200       2.342800    
 H   -4.364900       4.459700       1.477600    
 H    3.586400      -1.679800       3.084600    
 H    3.560300      0.1389000       3.041700    
 H    4.947900     -0.7361000       3.679500    
 H   -2.409700      -6.024900      0.1001000    
 H   -3.478600      -4.999900       1.084800    
 H   -3.656100      -5.045600     -0.7062000    


%chk=000178850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178850

0 1
O -2.874529 1.445702 1.014412
O 5.060777 0.162393 1.075157
O -2.554785 -3.798545 -0.920290
O -3.814545 0.445025 -0.869767
O -3.819375 -2.404648 0.460346
N 0.457653 -1.034988 -0.318207
N -0.335153 -2.176230 -0.401014
C -0.297777 0.135017 -0.125524
C -1.641904 -0.290846 -0.071061
C 0.284542 1.497274 -0.166788
C 1.888061 -1.208238 -0.376083
C -1.610556 -1.713508 -0.261251
C 2.729870 -0.397878 0.422489
C 0.043366 2.426559 0.879022
C 1.093376 1.890093 -1.268844
C -2.873691 0.537041 -0.048243
C 2.411977 -2.219690 -1.208901
C 4.129006 -0.589173 0.347405
C -2.770124 -2.635406 -0.187451
C 3.812931 -2.403962 -1.251826
C 0.613514 3.718080 0.828832
C 1.655887 3.182303 -1.318107
C 4.676318 -1.594151 -0.490363
C 1.422636 4.100205 -0.266317
C -4.093753 2.309956 1.114351
C -3.919666 3.175997 2.357352
C 4.547023 1.230766 1.939087
C -3.655139 -4.790460 -0.857767
H 2.295621 0.350801 1.087058
H -0.592826 2.131360 1.717812
H 1.273028 1.185118 -2.087711
H 1.731039 -2.847356 -1.787964
H 4.233472 -3.185990 -1.892494
H 0.423417 4.425612 1.643587
H 2.271528 3.473597 -2.175892
H 5.762329 -1.720349 -0.521070
H 1.860914 5.103719 -0.304657
H -4.975616 1.647689 1.176340
H -4.173499 2.905535 0.187059
H -3.027097 3.819912 2.270364
H -3.816329 2.550904 3.260773
H -4.803914 3.826670 2.485196
H 3.908936 0.822109 2.746680
H 3.976287 1.979820 1.356363
H 5.440928 1.699118 2.375865
H -3.327029 -5.609579 -1.512269
H -3.795458 -5.140345 0.179091
H -4.595171 -4.340233 -1.218479


