%chk=000018260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018260

0 1
 O  -0.2682000      0.6345000      -1.527000    
 O    1.760200      0.4660000      0.1132000    
 O   0.3613000       1.702000       1.456200    
 N    5.338900       1.108300      0.7306000    
 C  -0.5805000      0.1259000     -0.1988000    
 C  -0.3261000      -1.397700     -0.1957000    
 C   -1.974400      0.4665000      0.2080000    
 C   0.5345000      0.8758000      0.5682000    
 C   0.1321000      -1.972200      0.9595000    
 C   -2.978000      0.5654000     -0.7559000    
 C  -0.5718000      -2.094100      -1.348700    
 C   -2.274500      0.6867000       1.552300    
 C  -0.3982000       2.036900      -1.554400    
 C    2.891400       1.071000      0.7475000    
 C   0.3621000      -3.348100      0.9618000    
 C   -4.281400      0.8842000     -0.3752000    
 C  -0.3420000      -3.469900      -1.346100    
 C   -3.578000       1.005600       1.932900    
 C   0.1250000      -4.096800     -0.1910000    
 C   -4.581400       1.104300      0.9692000    
 C  -6.7900002E-02   2.535700      -2.945000    
 C    4.159300      0.5069000      0.1266000    
 C    6.557500      0.6032000      0.1117000    
 H   0.3081000      -1.409400       1.869900    
 H   -2.779500      0.3774000      -1.807600    
 H  -0.9458000      -1.627000      -2.253400    
 H   -1.534400      0.5700000       2.337700    
 H   -1.400600       2.398700      -1.315300    
 H   0.3091000       2.558900     -0.9030000    
 H    2.846600       2.157100      0.6009000    
 H    2.861700      0.8500000       1.821400    
 H   0.7224000      -3.837100       1.862200    
 H   -5.064200      0.9555000      -1.124600    
 H  -0.5293000      -4.053600      -2.242700    
 H   -3.814600       1.165200       2.980800    
 H   0.3026000      -5.168300     -0.1887000    
 H   -5.597100       1.348700       1.265900    
 H    4.137500      0.6977000     -0.9538000    
 H    4.167800     -0.5834000      0.2507000    
 H  -0.7457000       2.093900      -3.683100    
 H   0.9483000       2.242600      -3.229800    
 H  -0.1488000       3.625100      -3.002700    
 H    5.355700      0.9033000       1.729200    
 H    6.653700     -0.4799000      0.2400000    
 H    6.588400      0.8424000     -0.9562000    
 H    7.426400       1.076200      0.5798000    


%chk=000018260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018260

0 1
O -0.589656 0.902956 -1.786415
O 1.865215 0.424785 0.209003
O 0.664298 2.366613 0.606852
N 5.482023 0.740188 1.055136
C -0.503764 0.391987 -0.382555
C -0.206356 -1.114191 -0.511136
C -1.831619 0.619620 0.363798
C 0.697441 1.167761 0.230575
C -0.358533 -1.956388 0.617598
C -2.999841 0.071970 -0.231308
C 0.243322 -1.668091 -1.732262
C -1.949868 1.307247 1.594917
C -1.064271 2.298359 -1.969024
C 3.109583 1.143116 0.616159
C -0.062089 -3.333290 0.528416
C -4.257731 0.210796 0.387731
C 0.531289 -3.048625 -1.823531
C -3.212189 1.437485 2.222063
C 0.384591 -3.886368 -0.694490
C -4.368990 0.893636 1.623248
C -1.054506 2.551000 -3.476675
C 4.228796 0.098991 0.610504
C 6.701241 -0.060243 0.835707
H -0.719928 -1.538903 1.564582
H -2.908042 -0.463832 -1.182851
H 0.355674 -1.014045 -2.600169
H -1.070294 1.760555 2.059250
H -2.083513 2.399762 -1.548391
H -0.394246 2.997488 -1.433658
H 3.310420 1.957865 -0.100174
H 2.951013 1.588314 1.617008
H -0.185171 -3.974410 1.408780
H -5.148515 -0.216708 -0.086142
H 0.873309 -3.468992 -2.776396
H -3.288244 1.971832 3.175800
H 0.610106 -4.956562 -0.766512
H -5.345022 0.998728 2.110329
H 4.373328 -0.269977 -0.421624
H 3.919406 -0.779120 1.227126
H -1.712743 1.835355 -3.999373
H -0.034241 2.448100 -3.885399
H -1.413489 3.575016 -3.687881
H 5.414372 1.084101 2.021930
H 6.688983 -1.065134 1.323761
H 6.847430 -0.218545 -0.248670
H 7.579221 0.493896 1.211866


