%chk=000120975.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120975

0 1
 O   -6.594600       1.572400      0.2062000    
 O   -7.479600      -1.046300     -8.7200001E-02
 N   0.1664000      0.4315000      0.2440000    
 N    2.989600     -1.9000000E-03  0.2810000    
 C   0.7886000     -0.4959000     -0.7087000    
 C   0.8964000      0.4034000       1.517600    
 C    2.246000     -0.1131000     -0.9776000    
 C    2.356800      0.8173000       1.322400    
 C   -1.239800      8.7499999E-02  0.4513000    
 C    4.386100     -9.0700001E-02  0.2723000    
 C   -2.030200      0.2044000     -0.8525000    
 C   -3.487300     -0.1262000     -0.6479000    
 C    5.133300      0.3315000     -0.8452000    
 C    5.086800     -0.6056000       1.381100    
 C    6.525300      0.2422000     -0.8537000    
 C    7.198100     -0.2708000      0.2553000    
 C    6.478900     -0.6947000       1.372700    
 C   -4.374400      0.8853000     -0.3124000    
 C   -3.915400      -1.436500     -0.7976000    
 C    7.274500      0.7011000      -2.061600    
 C   -5.721800      0.5793000     -0.1222000    
 C    8.687600     -0.3767000      0.2696000    
 C   -5.262900      -1.742700     -0.6074000    
 C   -6.166100     -0.7347000     -0.2698000    
 C   -6.059800       2.888000      0.3378000    
 C   -7.882500      -1.408000       1.232300    
 H   0.3043000     -0.4738000      -1.688000    
 H   0.7405000      -1.528300     -0.3368000    
 H   0.8559000     -0.5984000       1.966400    
 H   0.4366000       1.099300       2.229800    
 H    2.688000     -0.8845000      -1.620700    
 H    2.283300      0.8417000      -1.517900    
 H    2.414600       1.874800       1.033700    
 H    2.871200      0.7167000       2.285100    
 H   -1.341200     -0.9244000      0.8672000    
 H   -1.676400      0.7753000       1.187600    
 H   -1.667000     -0.4738000      -1.630900    
 H   -1.935600       1.216500      -1.268000    
 H    4.628100      0.7467000      -1.714300    
 H    4.546600     -0.9544000       2.258300    
 H    6.987000      -1.099700       2.243900    
 H   -3.968500       1.885700     -0.2095000    
 H   -3.219700      -2.229300      -1.057600    
 H    7.953700       1.520700      -1.805500    
 H    7.847500     -0.1243000      -2.496500    
 H    6.601100       1.072100      -2.842100    
 H    9.145900      0.6109000      0.1553000    
 H    9.055600     -0.7958000       1.212700    
 H    9.035200      -1.034900     -0.5333000    
 H   -5.602000      -2.768500     -0.7240000    
 H   -5.651600       3.254800     -0.6102000    
 H   -5.334600       2.949000       1.156500    
 H   -6.892200       3.548900      0.6015000    
 H   -8.955300      -1.618900       1.217200    
 H   -7.697200     -0.5862000       1.931000    
 H   -7.353300      -2.307900       1.561500    


%chk=000120975-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120975

0 1
O -6.699688 1.403428 0.662705
O -7.651819 -1.145483 -0.167711
N 0.188623 0.197982 0.130384
N 3.083567 -0.008718 0.261449
C 0.950814 -0.580983 -0.875174
C 0.894441 0.135476 1.434749
C 2.383191 -0.038313 -1.035594
C 2.313370 0.710316 1.302086
C -1.229463 -0.222156 0.242097
C 4.504118 0.023622 0.292202
C -2.086427 0.203348 -0.980521
C -3.556893 -0.129362 -0.776088
C 5.282548 0.105219 -0.900498
C 5.211767 -0.069140 1.526346
C 6.697189 0.077750 -0.883126
C 7.392375 -0.016443 0.357935
C 6.619076 -0.083504 1.543097
C -4.420116 0.803161 -0.144911
C -4.086051 -1.380372 -1.171169
C 7.466188 0.164034 -2.191151
C -5.781654 0.502345 0.089872
C 8.909636 -0.042981 0.417764
C -5.439742 -1.696517 -0.922538
C -6.299658 -0.775534 -0.289541
C -6.220792 2.752176 0.971431
C -8.281306 -1.016041 1.162182
H 0.442887 -0.514345 -1.853432
H 1.005745 -1.662595 -0.586664
H 0.960830 -0.915441 1.816633
H 0.329197 0.735323 2.172403
H 2.926626 -0.708341 -1.724309
H 2.338697 0.975767 -1.498689
H 2.234936 1.791967 1.044096
H 2.826732 0.631628 2.272553
H -1.328323 -1.328305 0.390895
H -1.652421 0.259257 1.144701
H -1.717094 -0.304533 -1.891102
H -1.940109 1.289349 -1.129907
H 4.786767 0.215317 -1.870246
H 4.669916 -0.163268 2.472785
H 7.134266 -0.164002 2.508734
H -4.016919 1.780456 0.142972
H -3.440597 -2.110776 -1.672631
H 8.141986 1.041020 -2.209268
H 8.103356 -0.728577 -2.345604
H 6.784844 0.244944 -3.055309
H 9.356857 0.873630 -0.014970
H 9.262400 -0.125767 1.460394
H 9.330787 -0.897585 -0.147665
H -5.865710 -2.659565 -1.221345
H -5.848354 3.262091 0.062072
H -5.423169 2.733388 1.739698
H -7.099317 3.286086 1.362878
H -9.302218 -1.406216 1.030230
H -8.306552 0.036343 1.488589
H -7.738841 -1.630462 1.907435


