%chk=000048801.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048801

0 1
 O  -8.8500001E-02  -1.227500      -1.913200    
 O  -0.1786000       2.434200       1.146100    
 O   -3.493400     -0.6981000       1.209500    
 N   -1.752900      -1.048000     -0.3048000    
 N   -1.806900      0.8301000       1.128200    
 C   0.1534000      0.5407000     -0.3102000    
 C   0.6568000       1.470800      -1.424900    
 C    1.315200     -5.1399998E-02  0.4400000    
 C  -0.5655000     -0.6451000     -0.9339000    
 C  -0.6104000       1.370100      0.6992000    
 C  -0.4944000       2.185800      -2.098600    
 C    2.579500      0.2156000      6.0800001E-02
 C   0.9259000     -0.9367000       1.589700    
 C   -2.421300     -0.3441000      0.7110000    
 C    3.851900     -0.2565000      0.7034000    
 C   -2.385200      -2.261900     -0.8126000    
 C    4.314500      -1.577900      0.1104000    
 H    1.202200      0.9270000      -2.207600    
 H    1.312700       2.262800      -1.038400    
 H   -1.220600       1.484800      -2.522200    
 H   -1.025000       2.861200      -1.420900    
 H  -0.1158000       2.798000      -2.924700    
 H    2.813100      0.8280000     -0.8024000    
 H   -2.305100       1.362300       1.836400    
 H   0.3930000     -0.3836000       2.368400    
 H   0.3131000      -1.783200       1.268600    
 H    1.799700      -1.378800       2.078100    
 H    3.732700     -0.3553000       1.787500    
 H    4.627400      0.5045000      0.5555000    
 H   -3.109600      -2.670000     -0.1032000    
 H   -1.624300      -3.020000      -1.023200    
 H   -2.898000      -2.012800      -1.747000    
 H    5.255300      -1.890800      0.5746000    
 H    3.576700      -2.369900      0.2769000    
 H    4.483200      -1.490500     -0.9683000    


%chk=000048801-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048801

0 1
O -0.160683 -1.431515 -1.721060
O -0.127495 2.453293 1.214282
O -3.743088 -0.426184 1.091412
N -1.923748 -0.965029 -0.301082
N -1.881501 0.960402 1.107827
C 0.183912 0.488546 -0.239280
C 0.616877 1.383378 -1.447442
C 1.375189 -0.132255 0.558985
C -0.631787 -0.695102 -0.815532
C -0.595236 1.386989 0.740176
C -0.568936 2.000537 -2.219187
C 2.664799 0.081252 0.182302
C 0.954489 -0.967290 1.758029
C -2.589401 -0.170079 0.659613
C 3.924694 -0.453214 0.831449
C -2.640651 -2.144739 -0.845389
C 4.764369 -1.306659 -0.155840
H 1.213674 0.752875 -2.129106
H 1.259612 2.188787 -1.050985
H -1.235950 1.223935 -2.636597
H -1.169421 2.674612 -1.581169
H -0.192593 2.599829 -3.066879
H 2.857761 0.700282 -0.703299
H -2.388536 1.545576 1.780736
H 0.432077 -0.352064 2.516707
H 0.262864 -1.781051 1.464247
H 1.816620 -1.435780 2.256111
H 3.699668 -1.048258 1.734060
H 4.540168 0.405923 1.170249
H -3.594190 -2.239580 -0.307734
H -2.024120 -3.047190 -0.708387
H -2.820973 -2.009456 -1.924196
H 5.700496 -1.651420 0.319991
H 4.196761 -2.193250 -0.490037
H 5.035076 -0.722299 -1.054774


