%chk=000016950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016950

0 1
 O   -3.085100       2.261100     -8.4700003E-02
 O   -4.993800       1.298300     -0.8451000    
 O    2.105800       2.225500      -1.817600    
 O    1.997100      0.1936000      -2.832300    
 O    4.859500       1.031800       2.185600    
 O    2.699400      0.3678000       2.403700    
 N    2.201500      -1.106000     -0.4520000    
 N  -0.1326000      -1.269400     -0.2871000    
 N   -5.085300     -0.4895000       1.115600    
 N    1.287400      -3.193200     -0.4513000    
 C   -2.632900     -0.4231000       1.085400    
 C   -2.576700      -1.311200     -0.1662000    
 C   -3.927700      0.4007000       1.154000    
 C   -1.302400      -2.147300     -0.2291000    
 C    2.273200      0.3351000     -0.4114000    
 C    3.615300      0.7698000      0.1800000    
 C    1.028300      -1.839700     -0.3898000    
 C   -4.079700       1.336000     -3.1599998E-02
 C    2.108900      0.8672000      -1.818000    
 C    3.639500      0.6926000       1.691900    
 H   -2.552000      -1.051700       1.981400    
 H   -1.773100      0.2575000       1.098000    
 H   -2.634600     -0.6900000      -1.068000    
 H   -3.430100      -1.998000     -0.1902000    
 H   -3.958100      0.9956000       2.073100    
 H   -1.251800      -2.796400      0.6535000    
 H   -1.349500      -2.778900      -1.124500    
 H    1.446000      0.7370000      0.1867000    
 H    3.833800       1.812900     -7.7100001E-02
 H    4.432200      0.1502000     -0.2096000    
 H    3.071100      -1.607500     -0.6125000    
 H   -5.938600      5.0200000E-02   1.257100    
 H   -5.036000      -1.148500       1.891800    
 H   0.5498000      -3.887500     -0.4168000    
 H    2.236900      -3.541600     -0.5287000    
 H   -3.192800       2.869800     -0.8463000    
 H    2.003100       2.591000      -2.722100    
 H    4.883600      0.9830000       3.165100    


%chk=000016950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016950

0 1
O -2.694407 2.272291 0.160299
O -4.908447 1.611570 -0.026938
O 2.415680 2.003805 -2.429307
O 3.130876 -0.113354 -3.061653
O 3.419343 0.918484 2.626247
O 1.212521 0.651184 1.958361
N 2.298526 -1.212750 -0.613312
N -0.048925 -1.433427 -0.820853
N -4.592905 -0.407039 1.815788
N 1.372764 -3.346268 -0.342801
C -2.186095 -0.454478 1.058561
C -2.447000 -1.205775 -0.259329
C -3.403143 0.402000 1.530364
C -1.302987 -2.179663 -0.609848
C 2.175503 0.231550 -0.795786
C 2.981655 1.028916 0.263235
C 1.111426 -1.994507 -0.608895
C -3.777144 1.453475 0.488818
C 2.622383 0.638410 -2.202090
C 2.409303 0.833006 1.653976
H -1.980295 -1.185878 1.866479
H -1.292583 0.187223 0.966907
H -2.550482 -0.482153 -1.091963
H -3.399204 -1.764443 -0.174245
H -3.055638 0.981600 2.418383
H -1.217757 -2.937231 0.209410
H -1.576826 -2.731594 -1.536301
H 1.094586 0.463554 -0.701071
H 2.932728 2.109183 0.026320
H 4.045675 0.737288 0.268042
H 3.103294 -1.645158 -1.079397
H -5.465754 -0.050818 1.419782
H -4.659733 -0.784881 2.759619
H 0.625806 -4.027892 -0.438429
H 2.214775 -3.617102 0.160713
H -2.983760 2.933759 -0.524884
H 2.707259 2.234173 -3.352833
H 3.008580 0.830136 3.529531


