%chk=000156607.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156607

0 1
 O    4.495100       1.835500     -0.4615000    
 O    1.518300       1.349700     -0.5062000    
 O   -3.170500      -1.357400      -1.383000    
 O   -3.519000     -6.0400002E-02   1.050800    
 N    2.632700      -1.226600      0.4030000    
 C    3.704500     -0.4237000     -0.1859000    
 C    3.733600      0.9977000      0.4139000    
 C    2.251400      -2.309800     -0.4895000    
 C    5.034400      -1.149900      3.9600000E-02
 C    1.129600      -3.152100      0.1193000    
 C    2.357100       1.641100      0.6047000    
 C  -0.1099000      -2.328900      0.3640000    
 C   -1.081700      -2.218600     -0.6306000    
 C  -0.2849000      -1.678100       1.585200    
 C   -2.228500      -1.457500     -0.4040000    
 C   -1.431600     -0.9167000       1.811700    
 C   -2.403400     -0.8066000      0.8172000    
 C   0.2631000       1.899200     -0.4926000    
 C  -0.1364000       2.700500      0.5769000    
 C  -0.6158000       1.655800      -1.548200    
 C   -1.414700       3.258500      0.5908000    
 C   -1.894000       2.214100      -1.534400    
 C   -2.293500       3.015500     -0.4649000    
 C   -2.915300      -2.053300      -2.601500    
 C   -3.620500      0.5723000       2.325000    
 H    3.558200     -0.3197000      -1.270100    
 H    4.252400      0.9937000       1.380700    
 H    2.912200      -1.590700       1.312800    
 H    1.912500      -1.904700      -1.451600    
 H    3.094100      -2.979300     -0.6912000    
 H    5.866100     -0.5499000     -0.3464000    
 H    5.076000      -2.114600     -0.4750000    
 H    5.224100      -1.323900       1.105000    
 H    1.461300      -3.612700       1.059100    
 H   0.8917000      -3.987000     -0.5521000    
 H    1.912100       1.226500       1.518300    
 H    2.494200       2.725100      0.7062000    
 H    4.596300       2.700200     -2.8400000E-02
 H  -0.8892000      -2.743800      -1.560100    
 H   0.4611000      -1.759700       2.371300    
 H   -1.500500     -0.4406000       2.783600    
 H   0.4883000       2.926500       1.433900    
 H  -0.3110000       1.029700      -2.382200    
 H   -1.728400       3.879800       1.424700    
 H   -2.579200       2.021800      -2.354700    
 H   -3.289800       3.447600     -0.4526000    
 H   -2.025600      -1.664900      -3.108900    
 H   -2.868800      -3.136600      -2.446200    
 H   -3.766100      -1.864000      -3.264400    
 H   -4.560500       1.133900       2.331700    
 H   -2.816500       1.297300       2.486600    
 H   -3.683200     -0.1635000       3.134100    


%chk=000156607-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156607

0 1
O 3.969528 2.159780 0.775103
O 1.687562 1.651809 -0.735404
O -3.410544 -0.827934 -0.280459
O -3.309919 -0.595567 2.357059
N 3.004058 -1.486047 0.312624
C 3.830826 -0.260483 0.164362
C 3.201890 0.917207 0.975832
C 2.211223 -1.926925 -0.851867
C 5.275463 -0.505729 0.643262
C 1.139172 -2.981911 -0.454383
C 1.722767 1.157352 0.664110
C -0.026420 -2.402649 0.332481
C -1.172352 -1.921283 -0.358261
C 0.008759 -2.283665 1.737641
C -2.252023 -1.326750 0.328302
C -1.066064 -1.688641 2.443703
C -2.198619 -1.203745 1.754341
C 0.448466 2.053125 -1.266072
C -0.787673 1.898659 -0.592115
C 0.494039 2.627504 -2.561168
C -1.977338 2.328704 -1.224805
C -0.700185 3.052074 -3.177638
C -1.943849 2.906848 -2.513317
C -3.515596 -0.972721 -1.734984
C -3.298038 -0.489090 3.816445
H 3.855336 0.049433 -0.902823
H 3.296021 0.685642 2.052935
H 3.526326 -2.259623 0.740585
H 1.707759 -1.042991 -1.284881
H 2.848566 -2.359196 -1.663290
H 5.836342 0.443723 0.663260
H 5.800040 -1.217434 -0.020134
H 5.275949 -0.920528 1.671137
H 1.635305 -3.785831 0.125908
H 0.766386 -3.450393 -1.386194
H 1.149937 0.218602 0.765931
H 1.309587 1.939237 1.330653
H 3.658235 2.546404 -0.085659
H -1.206731 -2.008601 -1.449369
H 0.883624 -2.642542 2.289083
H -1.012816 -1.610211 3.533839
H -0.840979 1.441476 0.399390
H 1.463046 2.733720 -3.059550
H -2.930162 2.194676 -0.700691
H -0.659606 3.499673 -4.177174
H -2.869483 3.241245 -2.993651
H -2.722005 -0.401461 -2.253871
H -3.472875 -2.038004 -2.036262
H -4.500307 -0.554425 -1.990830
H -4.249195 -0.000078 4.073301
H -2.451727 0.131517 4.172435
H -3.249802 -1.487152 4.295027


