%chk=000030710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030710

0 1
 O   -2.177400      -1.359800      0.6263000    
 O   -3.287200       1.109800      -1.707700    
 O  -0.3988000       3.503700       1.340400    
 O    3.685400       1.261500     -0.5583000    
 N   -1.026700       1.122900     -2.7400000E-02
 N    3.319100      -1.008700     -3.7999999E-02
 C  -0.2374000     -3.6699999E-02  0.1354000    
 C   -1.034600       1.831800      -1.290500    
 C   -1.848000       1.608600       1.062600    
 C  -0.8287000      -1.257800      0.4592000    
 C    1.145100      4.6599999E-02 -3.0400001E-02
 C   -1.979200       1.148100      -2.264300    
 C   -1.001400       2.416500       2.031300    
 C    1.936200      -1.091300      0.1277000    
 C  -3.7500001E-02  -2.395600      0.6172000    
 C    1.345000      -2.312400      0.4516000    
 C   -2.871100      -2.256600     -0.2385000    
 C    4.085900      0.1190000     -0.3607000    
 C   -4.343800      -2.239400      0.1119000    
 C    5.555100     -0.2102000     -0.4477000    
 H  -3.2699998E-02   1.894900      -1.729300    
 H   -1.367600       2.865600      -1.138200    
 H   -2.348700      0.8050000       1.609900    
 H   -2.646200       2.251100      0.6713000    
 H    1.551600       1.020900     -0.2630000    
 H   -1.668400      0.1197000      -2.472500    
 H   -2.019800       1.689700      -3.214500    
 H  -0.2030000       1.810700       2.471200    
 H   -1.613400       2.816900       2.845600    
 H  -0.4756000      -3.352000      0.8883000    
 H    1.949800      -3.206300      0.5820000    
 H    3.825300      -1.882000      9.3800001E-02
 H   -2.496300      -3.279400     -0.1249000    
 H   -2.733200      -1.943300      -1.279500    
 H   -3.577800       2.028900      -1.580200    
 H   -1.114700       4.066500      0.9994000    
 H   -4.908900      -2.912800     -0.5385000    
 H   -4.495900      -2.542500       1.153000    
 H   -4.751100      -1.227800      1.2400000E-02
 H    5.911600     -0.5673000      0.5225000    
 H    6.119400      0.6838000     -0.7269000    
 H    5.718300     -0.9827000      -1.204400    


%chk=000030710-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030710

0 1
O -2.182837 -1.664275 1.083953
O -2.274794 0.709965 -2.817814
O -1.026602 3.476897 1.728937
O 3.431082 1.054752 -1.285335
N -1.270942 0.894671 0.021251
N 3.308899 -1.013795 -0.175754
C -0.363601 -0.172856 0.243638
C -0.972022 1.894991 -1.020683
C -2.159473 1.301328 1.130818
C -0.812673 -1.417925 0.801870
C 1.011705 -0.050935 -0.100073
C -0.975740 1.295211 -2.441335
C -1.471265 2.157159 2.215859
C 1.920758 -1.105049 0.151652
C 0.110101 -2.441797 1.088755
C 1.475955 -2.300130 0.775998
C -3.028786 -1.800826 -0.147255
C 3.987380 0.002494 -0.846096
C -4.477533 -1.920707 0.318011
C 5.487010 -0.239102 -1.018313
H -0.009395 2.423270 -0.850421
H -1.755235 2.674862 -0.957490
H -2.560391 0.388115 1.608850
H -3.020938 1.859802 0.708688
H 1.400503 0.866734 -0.542518
H -0.263551 0.459528 -2.519530
H -0.670602 2.082590 -3.163801
H -0.547858 1.662804 2.558843
H -2.156844 2.270354 3.084945
H -0.274237 -3.366721 1.530700
H 2.178053 -3.115879 0.987851
H 3.873202 -1.813365 0.118974
H -2.698766 -2.712880 -0.683401
H -2.864991 -0.924081 -0.802391
H -2.969741 1.413700 -2.753918
H -1.824391 4.004918 1.470148
H -5.142668 -2.066441 -0.552888
H -4.600544 -2.780084 1.000077
H -4.798541 -1.008279 0.851135
H 6.040109 0.573268 -0.515605
H 5.736673 -0.188045 -2.091955
H 5.836228 -1.206644 -0.616775


