%chk=000148060.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148060

0 1
 O   -1.764100      -1.585900       3.163700    
 O   -2.418900      0.4868000       1.429700    
 N   -2.600400      -2.578000     -0.3008000    
 C   -1.765300      -3.083100      -1.395600    
 C   -1.798000      -2.345700      0.8882000    
 C  -0.6842000      -2.042100      -1.705000    
 C   -2.652500      -3.301300      -2.625900    
 C   -1.117000      -4.406400     -0.9721000    
 C   -2.637500      -1.821000       2.055400    
 C   -3.375600     -0.5233000       1.734200    
 C    6.216500      8.4899999E-02  4.5600001E-02
 C    4.769500      0.4406000     -1.5100000E-02
 C   -2.805300       1.451600      0.5383000    
 C    6.557200      -1.145300     -0.8168000    
 C    6.708700     -0.1364000       1.488400    
 C    3.809300     -0.4617000      0.4427000    
 C    4.376300       1.676400     -0.5291000    
 C   -1.876600       2.079300     -0.2872000    
 C    2.064200       1.106700     -0.1275000    
 C    2.456000     -0.1285000      0.3863000    
 C    3.023000       2.009600     -0.5852000    
 C   -4.152700       1.795900      0.4718000    
 C   -2.298500       3.058900      -1.186100    
 C   -4.574600       2.775500     -0.4272000    
 C   -3.647500       3.406900      -1.256100    
 C  -0.4885000       1.736500     -0.2309000    
 C   0.6765000       1.449000     -0.1837000    
 H   -3.341800      -3.245500     -8.9599997E-02
 H   -1.316300      -3.258600       1.254700    
 H  -0.9972000      -1.617500      0.7259000    
 H   0.1202000      -2.010600     -0.9636000    
 H   -1.107200      -1.036000      -1.809000    
 H  -0.1965000      -2.277900      -2.659400    
 H   -3.440600      -4.036500      -2.425400    
 H   -2.067200      -3.669200      -3.476300    
 H   -3.137400      -2.368700      -2.937800    
 H  -0.3069000      -4.284900     -0.2456000    
 H  -0.6657000      -4.900100      -1.841900    
 H   -1.853400      -5.105600     -0.5586000    
 H   -3.360600      -2.586500       2.361700    
 H   -3.940200     -0.1976000       2.616100    
 H   -4.073300     -0.7125000      0.9093000    
 H   -2.311600      -1.285500       3.909100    
 H    6.804400      0.9203000     -0.3588000    
 H    6.075000      -2.054600     -0.4419000    
 H    7.638500      -1.320600     -0.8250000    
 H    6.232800     -0.9961000      -1.852700    
 H    6.493400      0.7389000       2.111300    
 H    7.791400     -0.3016000       1.503400    
 H    6.232400      -1.005400       1.955000    
 H    4.093000      -1.429300      0.8475000    
 H    5.111000       2.391200     -0.8898000    
 H    1.719600     -0.8415000      0.7493000    
 H    2.731800       2.976600     -0.9882000    
 H   -4.905300       1.358900       1.121000    
 H   -1.588700       3.561200      -1.839200    
 H   -5.623500       3.052900     -0.4765000    
 H   -3.975800       4.170900      -1.954600    


%chk=000148060-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148060

0 1
O -1.111830 -1.247142 2.639939
O -2.151771 0.377293 0.724617
N -2.707040 -3.243110 -0.138568
C -2.479358 -3.639910 -1.569036
C -1.616526 -2.554638 0.588070
C -2.369464 -2.366998 -2.445412
C -3.728845 -4.447469 -1.997809
C -1.204093 -4.517606 -1.745285
C -2.193102 -1.752691 1.781985
C -3.092778 -0.598902 1.315652
C 6.510890 0.124323 0.471573
C 5.049799 0.555154 0.326468
C -2.632914 1.580275 0.207111
C 6.770546 -1.259968 -0.180796
C 6.955859 0.124867 1.959410
C 3.992913 -0.217669 0.880093
C 4.707722 1.748230 -0.360743
C -1.624288 2.484313 -0.266087
C 2.310604 1.383278 0.059853
C 2.650130 0.180773 0.752196
C 3.367528 2.161813 -0.495060
C -4.001962 1.918133 0.131519
C -2.042578 3.726877 -0.818311
C -4.385533 3.161714 -0.421140
C -3.409055 4.066303 -0.897283
C -0.245102 2.126772 -0.168943
C 0.944520 1.790227 -0.068306
H -3.051073 -4.052948 0.398788
H -0.834634 -3.234862 0.992877
H -1.115637 -1.846670 -0.095323
H -1.472528 -1.769103 -2.202844
H -3.257562 -1.727157 -2.299073
H -2.303964 -2.644253 -3.513310
H -3.843346 -5.359729 -1.379538
H -3.646637 -4.763877 -3.052750
H -4.639917 -3.833899 -1.882259
H -0.300391 -3.975854 -1.410943
H -1.057161 -4.795594 -2.805699
H -1.284747 -5.450619 -1.154851
H -2.785873 -2.426282 2.428899
H -3.619599 -0.127875 2.167824
H -3.806157 -0.966723 0.554376
H -0.768754 -0.419773 2.206820
H 7.132860 0.869434 -0.064668
H 6.193174 -2.054365 0.327681
H 7.841692 -1.525969 -0.111788
H 6.480327 -1.260558 -1.246805
H 6.810366 1.118409 2.420128
H 8.024847 -0.145512 2.045630
H 6.372906 -0.608344 2.547316
H 4.222360 -1.143673 1.420879
H 5.506405 2.361745 -0.796040
H 1.850067 -0.429458 1.186714
H 3.124244 3.086600 -1.028918
H -4.766208 1.224788 0.494068
H -1.275472 4.419188 -1.180060
H -5.448788 3.419250 -0.477983
H -3.710770 5.027943 -1.324455


