%chk=000044329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044329

0 1
 O   -7.468900       1.475600       1.213400    
 O   -7.874800      0.7501000     -0.8230000    
 N    3.375200      -1.316400     -4.6900000E-02
 N   -7.086700      0.9861000      0.1238000    
 C    1.656800      0.3310000      0.2005000    
 C    3.009600     -1.6100001E-02  3.2499999E-02
 C   0.7088000     -0.6947000      0.2825000    
 C    3.964600       1.021700     -4.9800001E-02
 C    1.097000      -2.033800      0.1997000    
 C    3.561900       2.379700      3.5700001E-02
 C    2.462200      -2.303400      3.2200001E-02
 C    1.265800       1.673000      0.2840000    
 C    2.210600       2.688600      0.2023000    
 C  -0.7136000     -0.3672000      0.4573000    
 C    5.340300      0.7559000     -0.2181000    
 C   0.1663000      -3.084700      0.2793000    
 C    4.518700       3.405100     -4.6799999E-02
 C    2.861900      -3.634600     -5.1800001E-02
 C    6.280400       1.785600     -0.2986000    
 C   0.5901000      -4.407300      0.1928000    
 C    5.869600       3.109300     -0.2130000    
 C   -1.589500     -0.2015000     -0.5500000    
 C    1.941300      -4.682600      2.6799999E-02
 C   -3.019700      0.1077000     -0.3749000    
 C   -3.454700      0.6488000      0.8240000    
 C   -3.901100     -0.1489000      -1.412400    
 C   -4.808500      0.9411000      0.9901000    
 C   -5.254800      0.1436000      -1.246400    
 C   -5.708700      0.6885000     -4.5100000E-02
 H   0.2307000       1.975600      0.4187000    
 H    1.878700       3.722300      0.2714000    
 H   -1.010100     -0.2978000       1.500100    
 H    5.704400     -0.2675000     -0.2897000    
 H  -0.8980000      -2.913500      0.4150000    
 H    4.217900       4.449000      1.7899999E-02
 H    3.915500      -3.875400     -0.1818000    
 H    7.332600       1.549700     -0.4282000    
 H  -0.1295000      -5.217800      0.2560000    
 H    6.598700       3.911600     -0.2753000    
 H   -1.247600     -0.3117000      -1.577100    
 H    2.283500      -5.711100     -4.1499998E-02
 H   -2.787700      0.8836000       1.647300    
 H   -3.562500     -0.5745000      -2.353300    
 H   -5.125400       1.369700       1.937600    
 H   -5.926800     -6.6900000E-02  -2.074600    


%chk=000044329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044329

0 1
O -7.940867 0.542639 0.887690
O -7.818587 1.739651 -1.053343
N 3.478381 -1.353631 0.079954
N -7.279354 1.048267 -0.102386
C 1.573700 0.229461 0.155748
C 2.991774 -0.087233 0.007756
C 0.645952 -0.849820 0.323490
C 3.959511 0.994556 -0.221210
C 1.164710 -2.193353 0.412539
C 3.508474 2.357512 -0.240489
C 2.600723 -2.388634 0.298016
C 1.186133 1.626929 0.181673
C 2.107446 2.638257 -0.005453
C -0.810276 -0.644847 0.439384
C 5.341421 0.716170 -0.419707
C 0.336348 -3.357179 0.569661
C 4.452072 3.404860 -0.461724
C 3.148203 -3.712480 0.391012
C 6.254700 1.759377 -0.639983
C 0.896316 -4.632365 0.658146
C 5.809244 3.111922 -0.661620
C -1.575655 0.184272 -0.341412
C 2.315805 -4.814221 0.575477
C -3.028232 0.381226 -0.237831
C -3.818859 -0.141144 0.831601
C -3.686533 1.139814 -1.252338
C -5.204635 0.070708 0.879785
C -5.073043 1.362382 -1.220196
C -5.820065 0.820954 -0.150519
H 0.144235 1.880987 0.391629
H 1.785686 3.685817 0.035587
H -1.314498 -1.263597 1.194789
H 5.661326 -0.329102 -0.395532
H -0.752617 -3.250430 0.601154
H 4.101832 4.443799 -0.472539
H 4.234458 -3.811374 0.304677
H 7.315237 1.534006 -0.796000
H 0.246473 -5.505540 0.782332
H 6.527656 3.921069 -0.832863
H -1.084627 0.726327 -1.160774
H 2.738577 -5.822105 0.646415
H -3.343642 -0.706059 1.639788
H -3.094761 1.551416 -2.077996
H -5.820322 -0.322316 1.693121
H -5.585322 1.938551 -1.994911


