%chk=000050384.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050384

0 1
 O   3.0000001E-04  0.6969000       1.195000    
 O   -1.797200       1.766600     -0.8973000    
 O    1.797100       1.766600     -0.8973000    
 N  -9.9999997E-05  -3.095500      6.7199998E-02
 N  -9.9999997E-05  -1.816200      -2.036900    
 C   -1.291100     -0.9450000     -6.8599999E-02
 C    1.291300     -0.9452000     -6.8800002E-02
 C   -1.210100      -2.380000      0.5268000    
 C   -1.203800      -1.072100      -1.615000    
 C    1.210200      -2.380200      0.5266000    
 C    1.203800      -1.072300      -1.615000    
 C   1.9999999E-04 -0.2570000      0.4198000    
 C  -1.9999999E-04  -3.149600      -1.407300    
 C   -2.539800     -0.1530000      0.3314000    
 C    2.540000     -0.1532000      0.3311000    
 C   -2.725400       1.160600     -0.1050000    
 C    2.725300       1.160700     -0.1050000    
 C   -3.503200     -0.7562000       1.143000    
 C    3.503400     -0.7562000       1.142800    
 C   -3.868400       1.867500      0.2684000    
 C    3.868100       1.867800      0.2685000    
 C   -4.646100     -4.9199998E-02   1.516500    
 C    4.646400     -4.9100000E-02   1.516200    
 C   -4.828800       1.262600       1.079200    
 C    4.828800       1.262800       1.079200    
 C   -2.064600       3.108900      -1.298000    
 C    2.064200       3.109100      -1.297600    
 H   -1.202800      -2.354900       1.624900    
 H   -2.083900      -2.977100      0.2336000    
 H   -2.095300      -1.586500      -1.999800    
 H   -1.186900     -0.1060000      -2.128000    
 H    2.083900      -2.977400      0.2334000    
 H    1.203000      -2.355100       1.624900    
 H    1.187100     -0.1062000      -2.128100    
 H    2.095200      -1.586900      -1.999900    
 H   0.8690000      -3.722800      -1.756300    
 H  -0.8696000      -3.722600      -1.756100    
 H   -3.413600      -1.770700       1.514200    
 H    3.414000      -1.770800       1.513900    
 H   -4.077600       2.888500     -3.1099999E-02
 H    4.077000       2.889000     -3.0700000E-02
 H   -5.394100     -0.5193000       2.148400    
 H    5.394500     -0.5192000       2.148000    
 H   -5.719000       1.812200       1.371200    
 H    5.718900       1.812600       1.371200    
 H   -2.090200       3.788200     -0.4392000    
 H   -2.969900       3.175300      -1.911000    
 H   -1.232000       3.428500      -1.932200    
 H    2.969500       3.175800      -1.910600    
 H    2.089500       3.788100     -0.4386000    
 H    1.231500       3.428600      -1.931800    


%chk=000050384-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050384

0 1
O 0.000303 0.738027 1.237001
O -1.876234 1.725976 -0.997851
O 1.875204 1.727187 -0.995392
N -0.000003 -3.088125 0.050987
N -0.000103 -1.839714 -2.070825
C -1.289845 -0.900933 -0.092025
C 1.290052 -0.901059 -0.092226
C -1.216203 -2.376157 0.504851
C -1.216708 -1.093385 -1.670937
C 1.216344 -2.376281 0.504654
C 1.216654 -1.093526 -1.671130
C 0.000180 -0.206066 0.405156
C -0.000133 -3.183958 -1.439513
C -2.558239 -0.162845 0.332026
C 2.558583 -0.163130 0.331724
C -2.821871 1.169513 -0.117975
C 2.821619 1.169812 -0.116925
C -3.518116 -0.749217 1.191015
C 3.519108 -0.750209 1.189504
C -3.979647 1.869587 0.293514
C 3.979520 1.869667 0.294582
C -4.686265 -0.065179 1.601445
C 4.687384 -0.066384 1.599925
C -4.912591 1.250394 1.154304
C 4.913163 1.249715 1.154064
C -2.022057 3.135886 -1.352979
C 2.020495 3.137562 -1.348896
H -1.221090 -2.341359 1.609537
H -2.102376 -2.946172 0.166428
H -2.110852 -1.659764 -1.995124
H -1.226324 -0.108910 -2.160670
H 2.102419 -2.946378 0.166111
H 1.221382 -2.341487 1.609338
H 1.226316 -0.109070 -2.160882
H 2.110678 -1.660023 -1.995443
H 0.901618 -3.734292 -1.759859
H -0.902000 -3.734189 -1.759709
H -3.358190 -1.762982 1.568249
H 3.359626 -1.764413 1.565743
H -4.163100 2.892232 -0.048206
H 4.162508 2.892749 -0.046078
H -5.401515 -0.556295 2.269457
H 5.403158 -0.558079 2.266950
H -5.807196 1.799648 1.468387
H 5.807851 1.798814 1.468181
H -1.993133 3.779268 -0.452878
H -2.959097 3.320747 -1.914805
H -1.160445 3.359382 -1.999210
H 2.957068 3.323282 -1.911215
H 1.992149 3.779837 -0.447985
H 1.158350 3.361694 -1.994197


