%chk=000080736.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080736

0 1
 O   -4.211700      0.5007000     -0.7264000    
 N    1.890400     -0.2209000     -7.5499997E-02
 N   -3.636600      0.3619000      0.3634000    
 C   0.4887000     -8.7499999E-02  3.4200002E-02
 C    2.705400     -0.3835000       1.110800    
 C    2.527200     -0.2107000      -1.376500    
 C  -0.3393000      -1.209800      9.6000005E-03
 C  -6.5600000E-02   1.185400      0.1691000    
 C    2.980400      0.9547000       1.775500    
 C    2.877600       1.204100      -1.805200    
 C   -1.721600      -1.059300      0.1197000    
 C   0.2288000      -2.584500     -0.1328000    
 C   -1.447900       1.335900      0.2795000    
 C   -2.276000      0.2135000      0.2546000    
 H    2.213700      -1.051200       1.828400    
 H    3.661500     -0.8583000      0.8608000    
 H    3.438300     -0.8207000      -1.366300    
 H    1.870200     -0.6623000      -2.130100    
 H   0.5642000       2.070700      0.1898000    
 H    3.473200       1.656500       1.098300    
 H    2.059800       1.422600       2.137200    
 H    3.636100      0.8119000       2.640900    
 H    1.992900       1.845700      -1.852900    
 H    3.597700       1.665700      -1.124700    
 H    3.330500       1.189200      -2.802100    
 H   -2.367100      -1.935500      0.1010000    
 H   0.7895000      -2.677900      -1.068200    
 H   0.8859000      -2.821100      0.7100000    
 H  -0.5568000      -3.348000     -0.1527000    
 H   -1.862500       2.336000      0.3842000    


%chk=000080736-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080736

0 1
O -4.313935 1.199553 0.666253
N 1.911125 -0.330227 0.411163
N -3.740190 0.271376 -0.037483
C 0.515197 -0.213638 0.303051
C 2.623316 0.222234 1.591519
C 2.786762 -0.664033 -0.747231
C -0.286019 -1.088959 -0.529887
C -0.162982 0.796391 1.079339
C 3.205548 1.645050 1.409467
C 2.595390 0.271468 -1.961522
C -1.672119 -0.858262 -0.596061
C 0.262498 -2.319498 -1.236553
C -1.540814 0.990617 1.007245
C -2.317294 0.167479 0.143580
H 1.940274 0.194355 2.457612
H 3.451351 -0.474455 1.828870
H 3.827596 -0.584607 -0.385406
H 2.648153 -1.712940 -1.058132
H 0.425781 1.465741 1.711965
H 3.944630 1.673944 0.588844
H 2.418548 2.385038 1.182142
H 3.720959 1.960801 2.335316
H 1.561365 0.226084 -2.345450
H 2.810236 1.320971 -1.694510
H 3.278295 -0.026691 -2.778587
H -2.307319 -1.508795 -1.209443
H 0.870324 -2.080079 -2.129820
H 0.887546 -2.928178 -0.556982
H -0.573116 -2.954393 -1.576101
H -2.044207 1.776950 1.580404


