%chk=000160909.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160909

1 1
 O   -2.936600     -0.7837000      0.1242000    
 O   -3.000900       1.616100     -8.6900003E-02
 O  -0.4998000      -2.276300      0.3340000    
 N    3.079000     -0.2361000     -1.8000000E-03
 C    1.954000       1.981900      6.8800002E-02
 C   0.6491000       1.234000      2.6300000E-02
 C    3.087500       1.163100     -0.5417000    
 C   0.6702000     -0.1721000      0.1539000    
 C    1.970200     -0.8413000      0.2648000    
 C  -0.5025000     -0.9273000      0.1983000    
 C  -0.5771000       1.902300     -5.2800000E-02
 C   -1.691300     -0.2340000      0.1038000    
 C   -1.727800       1.138300     -1.8300001E-02
 C    4.390500     -0.9175000      0.1376000    
 C   -3.760400      0.3934000      1.1000000E-03
 C   -1.104000      -3.040600     -0.7115000    
 H    1.870000       2.932200     -0.4711000    
 H    2.179400       2.215600       1.117100    
 H    2.984700       1.076800      -1.629300    
 H    4.056600       1.617900     -0.3113000    
 H    2.019400      -1.894400      0.5852000    
 H  -0.6263000       2.982800     -0.1320000    
 H    4.893500     -0.8889000     -0.8323000    
 H    4.243800      -1.954800      0.4508000    
 H    4.973000     -0.3793000      0.8897000    
 H   -4.420400      0.4524000      0.8741000    
 H   -4.376800      0.2975000     -0.9001000    
 H  -0.6250000      -4.023800     -0.7299000    
 H  -0.9626000      -2.570000      -1.690600    
 H   -2.168700      -3.183200     -0.5065000    


%chk=000160909-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160909

1 1
O -2.970755 -0.793328 -0.302782
O -2.995011 1.597434 -0.159200
O -0.241289 -2.332666 -0.236400
N 3.193072 -0.162240 -0.062138
C 2.002692 2.012377 0.302617
C 0.695298 1.275118 0.052553
C 3.197428 1.305519 -0.360534
C 0.759132 -0.160759 -0.040270
C 2.029114 -0.814169 0.026902
C -0.438447 -0.973663 -0.151772
C -0.538706 1.939789 0.024066
C -1.656530 -0.278329 -0.182701
C -1.686973 1.132831 -0.100061
C 4.503571 -0.848363 -0.008916
C -3.874384 0.391162 -0.281847
C -1.403567 -3.260608 -0.307807
H 1.950156 3.047391 -0.075363
H 2.170127 2.082444 1.396535
H 3.165765 1.416347 -1.462864
H 4.151270 1.725170 -0.001410
H 2.061920 -1.902293 0.138917
H -0.622372 3.025724 0.103411
H 5.063560 -0.654074 -0.940674
H 4.360391 -1.933639 0.104520
H 5.092494 -0.470328 0.844506
H -4.527262 0.340183 0.603796
H -4.423798 0.450977 -1.234391
H -0.949587 -4.259231 -0.360089
H -2.000025 -3.055510 -1.210484
H -2.026584 -3.162270 0.595479


