%chk=000125438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125438

0 1
 O   0.7221000       3.009500      0.1060000    
 O    4.413000      0.2599000     -0.4558000    
 O    3.962800      -1.413700       1.009000    
 O   -5.183900      -1.033900     -0.6315000    
 O   -3.653400      -1.495900      0.9830000    
 N   -2.034000      0.5146000      0.2809000    
 N    1.678900      -2.093500     -0.2050000    
 C    1.035100      0.6666000      0.5826000    
 C   5.0700001E-02   1.844900      0.5907000    
 C    1.493100      0.2667000     -0.8247000    
 C   -1.242400       1.639700     -0.2075000    
 C    2.398400     -0.9741000     -0.8083000    
 C    3.655700     -0.7649000      1.7300000E-02
 C   -3.261900      0.3734000     -0.4876000    
 C   -4.034200     -0.7992000      5.0799999E-02
 H   0.5624000     -0.1798000       1.092900    
 H    1.913900      0.9467000       1.176700    
 H  -0.2179000       2.057100       1.633500    
 H   0.6282000      5.0299998E-02  -1.461900    
 H    2.025600       1.105600      -1.288500    
 H   -1.009700       1.521700      -1.272500    
 H   -1.830800       2.565000     -0.1399000    
 H    2.696400      -1.244500      -1.827200    
 H   -2.257800      0.6628000       1.264900    
 H    1.502200       3.155700      0.6678000    
 H    2.239900      -2.941500     -0.2785000    
 H   0.8238000      -2.274100     -0.7297000    
 H   -3.035700      0.1754000      -1.540600    
 H   -3.887100       1.267900     -0.3967000    
 H    5.217800      0.4002000      8.7300003E-02
 H   -5.665700      -1.812500     -0.2795000    


%chk=000125438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125438

0 1
O 0.756312 2.944829 0.217130
O 4.190752 0.671545 -0.444884
O 4.438631 -1.358483 0.647458
O -5.244404 -1.003906 -0.786858
O -4.273848 -0.830323 1.319287
N -2.079411 0.544994 0.220227
N 1.985788 -2.252365 -0.225557
C 0.945136 0.481188 0.627273
C 0.050200 1.734830 0.695374
C 1.407991 0.119027 -0.796340
C -1.223012 1.678062 -0.168894
C 2.475509 -1.011427 -0.823992
C 3.769809 -0.623100 -0.112307
C -3.287889 0.385771 -0.588966
C -4.274325 -0.535433 0.104518
H 0.404727 -0.378108 1.061620
H 1.829489 0.657955 1.277194
H -0.247647 1.885969 1.759618
H 0.540470 -0.236976 -1.384900
H 1.817598 1.008645 -1.308664
H -0.931558 1.566136 -1.230033
H -1.733743 2.668376 -0.084167
H 2.784026 -1.123996 -1.896928
H -2.287770 0.499580 1.226816
H 1.665610 2.952181 0.610164
H 2.695734 -2.845886 0.207934
H 1.255319 -2.739376 -0.743428
H -3.052577 -0.028543 -1.587580
H -3.838347 1.345826 -0.777099
H 5.070794 0.843068 -0.011892
H -5.903868 -1.563960 -0.294124


