%chk=000080730.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080730

0 1
 O  -0.3068000       2.137700      -1.099000    
 O    2.200500      -2.500200      0.5220000    
 O   -2.438300      -2.371700     -4.0399998E-02
 O   -4.336700     -0.1913000       1.572300    
 O    4.318800       2.022500     -0.4857000    
 N   -1.841600     -0.1796000     -0.6397000    
 N    3.716800     -0.1835000      5.9599999E-02
 C  -0.4367000     -0.1733000     -0.4668000    
 C    2.330600     -0.1904000     -0.1136000    
 C   0.3035000      0.9856000     -0.7005000    
 C    1.590600      -1.349400      0.1200000    
 C   0.2068000      -1.340900     -5.6499999E-02
 C    1.687200      0.9771000     -0.5239000    
 C   -4.154700     -0.8629000     -0.7272000    
 C   -2.712600      -1.241900     -0.4365000    
 C   -4.927700     -0.3117000      0.4794000    
 C    4.602800      0.8842000     -0.1291000    
 C   -6.324300      6.8099998E-02  0.3395000    
 C    6.036000      0.5708000      0.1100000    
 C   -6.964000     -6.8200000E-02 -0.8926000    
 C   -7.024700      0.5682000       1.437400    
 C    6.913600       1.579900      0.5072000    
 C    6.503500     -0.7321000     -6.2399998E-02
 C  -0.7465000       3.025300     -7.3500000E-02
 C    2.643700      -3.389300     -0.5007000    
 C   -8.303900      0.2958000      -1.027000    
 C   -8.364600      0.9321000       1.303000    
 C    8.258500       1.286000      0.7319000    
 C    7.848500      -1.025900      0.1625000    
 C   -9.004100      0.7958000      7.0699997E-02
 C    8.725900     -1.6799999E-02  0.5595000    
 H  -0.2988000      -2.275400      0.1405000    
 H    2.191600       1.911200     -0.7251000    
 H   -2.239100      0.7050000     -0.9475000    
 H   -4.170800     -0.1170000      -1.530000    
 H   -4.655800      -1.770500      -1.083500    
 H    4.091000      -1.064300      0.4009000    
 H   -6.459700     -0.4528000      -1.773300    
 H   -6.549200      0.6838000       2.407700    
 H    6.568300       2.600100      0.6521000    
 H    5.865700      -1.541100     -0.4055000    
 H   -1.458100       2.528900      0.5939000    
 H   -1.246500       3.874600     -0.5470000    
 H   0.1077000       3.398100      0.5005000    
 H    3.145800      -4.235800     -2.4400000E-02
 H    3.354500      -2.892900      -1.168900    
 H    1.791000      -3.766200      -1.074200    
 H   -8.802600      0.1898000      -1.986100    
 H   -8.910300       1.321400       2.157500    
 H    8.941700       2.071300       1.041900    
 H    8.215000      -2.038400      2.0400001E-02
 H   -10.04740       1.079100     -3.3799998E-02
 H    9.773400     -0.2453000      0.7328000    


%chk=000080730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080730

0 1
O -0.759529 1.943267 0.430215
O 2.640630 -2.424468 -0.538020
O -2.294249 -2.613683 -0.770981
O -4.116379 1.174236 0.096118
O 4.197770 2.088948 0.720792
N -1.896710 -0.366820 -0.196016
N 3.766208 -0.125131 0.082028
C -0.480263 -0.353420 -0.138191
C 2.351807 -0.126363 0.030565
C 0.139611 0.887037 0.198091
C 1.732636 -1.365368 -0.304989
C 0.335316 -1.485016 -0.389741
C 1.539325 1.004765 0.284436
C -4.232704 -1.205829 -0.487367
C -2.706870 -1.439365 -0.492937
C -4.838621 0.163432 -0.175113
C 4.615685 0.932822 0.381289
C -6.332535 0.294073 -0.193183
C 6.090185 0.625218 0.296715
C -7.195037 -0.797257 -0.490342
C -6.898816 1.565135 0.102367
C 6.974876 1.519146 0.953554
C 6.629563 -0.476427 -0.420842
C -0.196863 3.247558 0.784617
C 2.073924 -3.731456 -0.878125
C -8.594040 -0.618022 -0.490503
C -8.295557 1.742019 0.101765
C 8.367858 1.306228 0.916160
C 8.025226 -0.686826 -0.460903
C -9.147316 0.649932 -0.194664
C 8.898367 0.199365 0.211766
H -0.159313 -2.423274 -0.644337
H 2.034042 1.940853 0.546472
H -2.378007 0.531339 0.008040
H -4.591984 -1.536990 -1.481915
H -4.648892 -1.948774 0.221759
H 4.174221 -1.045722 -0.105022
H -6.784738 -1.785643 -0.721178
H -6.218805 2.392866 0.328557
H 6.540713 2.375848 1.479107
H 5.980760 -1.158190 -0.984433
H 0.386178 3.187303 1.723214
H -1.065901 3.907243 0.922405
H 0.448991 3.635676 -0.025836
H 2.938082 -4.398661 -1.013829
H 1.487146 -3.677174 -1.814401
H 1.430066 -4.108553 -0.061409
H -9.252688 -1.462425 -0.719901
H -8.723342 2.723919 0.330583
H 9.039819 2.000704 1.432270
H 8.431153 -1.534446 -1.023973
H -10.234471 0.786242 -0.195199
H 9.980971 0.033728 0.179262


