%chk=000003178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003178

1 1
 O   -1.249600       3.308600      0.3087000    
 O    6.247700       1.731400     -0.3682000    
 O    4.733700       3.377600     -0.7584000    
 N   -4.459800       1.889800      0.1443000    
 N   -6.345500       1.215900       1.332600    
 N   -2.890900      -2.790100      -1.665800    
 N   -3.200800      -4.657600     -0.3308000    
 C    3.986000       1.214000      0.1240000    
 C    4.080700     -8.7399997E-02 -0.7186000    
 C    3.210100      -1.195100     -0.2289000    
 C    2.573200       1.779000      0.1742000    
 C    1.905700      -1.319400     -0.7079000    
 C    1.073000      -2.356900     -0.2577000    
 C    1.570400      -3.281200      0.6916000    
 C    3.699300      -2.104100      0.7046000    
 C    4.989400       2.245600     -0.3737000    
 C    2.885900      -3.140800       1.162800    
 C    1.947600       1.902900       1.397500    
 C    1.962500       2.150300      -1.005700    
 C  -0.2426000      -2.497400     -0.7290000    
 C   1.3600000E-02   2.803900      0.2640000    
 C   0.7378000      -4.318700       1.141600    
 C   0.6532000       2.421000       1.442900    
 C   0.6684000       2.668600     -0.9603000    
 C   -1.056000      -3.534100     -0.2709000    
 C   -5.904000       1.937600      0.1411000    
 C  -0.5668000      -4.443100      0.6626000    
 C   -2.357200       2.507000      0.2192000    
 C   -3.633400       2.976900      0.2613000    
 C   -3.706300      0.7506000      3.0400001E-02
 C   -2.379100       1.116200      7.5199999E-02
 C   -6.537900       1.392700      -1.136800    
 C   -2.408500      -3.663500     -0.7659000    
 H    4.296500      0.9794000       1.152700    
 H    5.119000     -0.4456000     -0.7360000    
 H    3.854200      0.1206000      -1.773300    
 H    1.532600     -0.6216000      -1.454000    
 H    4.712900      -2.016200       1.087100    
 H    3.288900      -3.839400       1.893100    
 H    2.434800       1.607400       2.321600    
 H    2.459100       2.054700      -1.966300    
 H  -0.5918000      -1.771200      -1.456000    
 H    1.100100      -5.040200       1.871000    
 H   0.1495000       2.523700       2.400200    
 H   0.1766000       2.966000      -1.882600    
 H   -6.200200       2.987500      0.2499000    
 H   -1.153200      -5.266600       1.053100    
 H   -4.028800       3.978700      0.3630000    
 H   -4.162800     -0.2246000     -7.5499997E-02
 H   -1.546800      0.4298000      8.3999997E-03
 H   -7.627600       1.499300      -1.104800    
 H   -6.169700       1.937300      -2.013200    
 H   -6.309400      0.3317000      -1.288000    
 H    6.907500       2.377300     -0.6994000    
 H   -6.113500      0.2263000       1.265100    
 H   -5.881800       1.578300       2.164400    
 H   -2.364700      -2.013600      -2.042700    
 H   -3.842700      -2.893300      -2.002600    
 H   -4.148200      -4.735200     -0.6863000    
 H   -2.915400      -5.354500      0.3438000    


%chk=000003178-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003178

1 1
O -1.336625 2.298313 -1.110912
O 5.706284 3.032363 0.734110
O 5.533904 2.422555 -1.501763
N -4.492194 1.568471 0.450754
N -6.406058 1.144222 1.887405
N -3.030562 -2.033872 -1.294486
N -2.976194 -4.381430 -1.357028
C 4.167771 1.250845 0.198295
C 4.456181 -0.136914 -0.493606
C 3.459377 -1.217210 -0.108365
C 2.741297 1.728978 -0.092200
C 2.182221 -1.259301 -0.685081
C 1.212900 -2.231336 -0.284596
C 1.569672 -3.238938 0.696969
C 3.792842 -2.209633 0.876265
C 5.189166 2.265687 -0.309171
C 2.882850 -3.200394 1.261238
C 1.762624 1.685127 0.928102
C 2.338136 2.086676 -1.407039
C -0.108163 -2.222783 -0.824083
C 0.006598 2.144281 -0.692563
C 0.595213 -4.227757 1.063363
C 0.396500 1.899371 0.643432
C 0.978033 2.288848 -1.711274
C -1.046519 -3.200234 -0.442890
C -5.955348 1.869243 0.724349
C -0.679547 -4.225025 0.502964
C -2.391146 1.776170 -0.340539
C -3.655397 2.374365 -0.328512
C -3.783986 0.479090 0.926278
C -2.459265 0.556471 0.436715
C -6.807852 1.513299 -0.511018
C -2.390096 -3.194791 -1.045799
H 4.299982 1.155213 1.289314
H 5.481939 -0.451455 -0.226262
H 4.446776 0.032813 -1.585363
H 1.903289 -0.524423 -1.446846
H 4.792545 -2.190408 1.326057
H 3.171100 -3.955297 2.001078
H 2.062124 1.460427 1.958275
H 3.089368 2.181930 -2.199523
H -0.367240 -1.469045 -1.577434
H 0.862502 -4.985892 1.807661
H -0.345000 1.872296 1.446474
H 0.651984 2.544452 -2.723938
H -5.982054 2.968444 0.877108
H -1.422098 -4.961797 0.829964
H -3.993040 3.290455 -0.805904
H -4.254261 -0.215186 1.618044
H -1.628420 -0.070280 0.760755
H -7.840666 1.880235 -0.379890
H -6.392322 1.972520 -1.422664
H -6.834454 0.417272 -0.654494
H 6.341784 3.711118 0.374913
H -7.247846 0.579877 1.791593
H -6.261889 1.566867 2.803357
H -2.746756 -1.142874 -0.833649
H -3.895261 -2.001190 -1.839580
H -3.944596 -4.456031 -1.671536
H -2.425204 -5.238598 -1.314124


