%chk=000112857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112857

0 1
 O    2.175900     -0.7172000       1.433800    
 O   -2.064500      -3.350000     -0.9267000    
 O   -2.316300      0.5961000      7.1000002E-02
 O   -3.553100      -1.378500      0.1545000    
 O    3.716300       4.290300      -2.020600    
 O    3.797600       5.170500     -1.1200000E-02
 N    3.601000       4.194500     -0.7748000    
 C    1.348800      -2.686200      0.3057000    
 C   0.2587000      -3.357200     -0.2980000    
 C    1.153800      -1.402700      0.8412000    
 C  -0.9942000      -2.724700     -0.3485000    
 C   -1.169900      -1.449100      0.1886000    
 C  -9.7900003E-02 -0.7894000      0.7823000    
 C    2.601700      -3.318700      0.3561000    
 C   0.4536000      -4.640800     -0.8336000    
 C    2.777300      -4.594300     -0.1809000    
 C    1.705300      -5.254000     -0.7746000    
 C   -2.466600     -0.7862000      0.1416000    
 C    2.530000      0.5017000      0.8858000    
 C    2.656400      0.6139000     -0.4881000    
 C    2.748500       1.581600       1.723600    
 C    3.012400       1.844000      -1.041200    
 C    3.104300       2.811700       1.170600    
 C    3.236300       2.942900     -0.2118000    
 C   -3.523400       1.298500      2.2800000E-02
 C   -4.106000       1.693800       1.206300    
 C   -4.083400       1.567100      -1.206100    
 C   -5.311400       2.394100       1.158300    
 C   -5.288700       2.267500      -1.254300    
 C   -5.902700       2.680900     -7.1999997E-02
 H  -0.2287000      0.1925000       1.231500    
 H    3.460300      -2.831400      0.8126000    
 H  -0.3417000      -5.195400      -1.323300    
 H    3.751700      -5.072100     -0.1363000    
 H    1.844400      -6.245500      -1.195900    
 H   -1.998700      -4.309400     -0.7983000    
 H    2.505800     -0.2301000      -1.154500    
 H    2.645400       1.480800       2.799900    
 H    3.110200       1.908100      -2.121900    
 H    3.271100       3.645800       1.847400    
 H   -3.645100       1.470900       2.163500    
 H   -3.605100       1.245500      -2.126000    
 H   -5.789400       2.716100       2.078900    
 H   -5.749200       2.490900      -2.212200    
 H   -6.841200       3.226300     -0.1094000    


%chk=000112857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112857

0 1
O 2.192020 -0.607990 1.015144
O -2.123378 -3.942870 -0.445319
O -2.580773 0.227343 0.109640
O -3.749266 -1.817981 0.032886
O 3.048029 4.878543 -2.163046
O 4.324326 5.235135 -0.303477
N 3.530988 4.507730 -1.021421
C 1.389718 -2.797783 0.346148
C 0.291565 -3.676127 0.012600
C 1.099005 -1.412828 0.580330
C -1.050630 -3.135463 -0.089838
C -1.295871 -1.764067 0.159816
C -0.191612 -0.915305 0.503442
C 2.715974 -3.325005 0.438690
C 0.577074 -5.063192 -0.210060
C 2.959372 -4.681090 0.209249
C 1.880259 -5.558296 -0.115718
C -2.671430 -1.192228 0.091718
C 2.440795 0.658417 0.462879
C 1.940092 1.087429 -0.793483
C 3.300246 1.485946 1.228586
C 2.304167 2.354837 -1.280651
C 3.661772 2.751846 0.743547
C 3.156163 3.176459 -0.508135
C -3.691456 1.124051 0.080494
C -5.058020 0.753675 0.078012
C -3.300130 2.483324 0.058388
C -6.029956 1.781549 0.054285
C -4.285619 3.490871 0.034307
C -5.657849 3.143893 0.032530
H -0.401264 0.134723 0.713448
H 3.529437 -2.641986 0.697583
H -0.222103 -5.777174 -0.451848
H 3.977557 -5.076983 0.281048
H 2.074952 -6.621675 -0.287643
H -1.833861 -4.869902 -0.637845
H 1.288643 0.438450 -1.384265
H 3.665931 1.118323 2.191150
H 1.945537 2.715811 -2.248079
H 4.319554 3.416355 1.309239
H -5.350858 -0.295843 0.090314
H -2.233824 2.729914 0.058905
H -7.089757 1.503544 0.052200
H -3.981552 4.542974 0.016421
H -6.424363 3.925748 0.013628


