%chk=000040146.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040146

0 1
 O  -7.0799999E-02  -1.146600      -1.730500    
 N  -0.5808000      0.9382000     -0.8528000    
 N   -4.795600     -0.6288000       1.356900    
 C    1.590200     -8.8200003E-02 -0.4579000    
 C    3.445900       1.208500      0.3858000    
 C    3.528400      -1.205100      0.4548000    
 C    2.263700      -1.265000     -0.1308000    
 C    2.181400       1.148500     -0.1997000    
 C   -1.927400       1.013900      -1.372000    
 C    4.119400      3.1700000E-02  0.7131000    
 C   0.2713000     -0.1510000      -1.068300    
 C   -2.931500      0.4382000     -0.4158000    
 C    4.078100       2.530800      0.6621000    
 C    4.248700      -2.463300      0.8044000    
 C   -3.526800       1.255900      0.5310000    
 C   -3.256900     -0.9065000     -0.4870000    
 C   -4.447500      0.6772000       1.389500    
 C   -4.189500      -1.388600      0.4172000    
 H    1.807300      -2.233300     -0.3228000    
 H    1.695300       2.082200     -0.4698000    
 H   -1.976100      0.4941000      -2.336200    
 H   -2.144900       2.069900      -1.569700    
 H    5.103700      7.7699997E-02   1.173200    
 H  -0.2935000       1.695400     -0.2418000    
 H    5.168800       2.448600      0.7188000    
 H    3.852100       3.246700     -0.1355000    
 H    3.710200       2.931900       1.611700    
 H    5.334200      -2.325300      0.7547000    
 H    3.981900      -2.779600       1.817600    
 H    3.996800      -3.269200      0.1067000    
 H   -3.288700       2.310900      0.6091000    
 H   -2.810200      -1.569200      -1.219300    
 H   -4.944800       1.268500       2.151100    
 H   -4.483900      -2.432900      0.4078000    


%chk=000040146-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040146

0 1
O 0.079520 -1.155953 -2.027848
N -0.606110 0.692849 -0.797674
N -5.168592 0.037309 1.522363
C 1.698370 -0.137962 -0.519748
C 3.455029 1.094729 0.691442
C 3.808571 -1.272936 0.048166
C 2.525375 -1.285181 -0.548520
C 2.173368 1.051110 0.094449
C -1.951336 0.710867 -1.386481
C 4.254768 -0.077171 0.663118
C 0.347777 -0.245665 -1.179540
C -3.059182 0.489447 -0.364023
C 3.976987 2.367462 1.336641
C 4.676714 -2.519186 0.042624
C -4.238425 1.272805 -0.377925
C -2.960009 -0.526980 0.619513
C -5.254573 1.013720 0.570803
C -4.024651 -0.714188 1.527718
H 2.146321 -2.180220 -1.054305
H 1.575575 1.971538 0.077272
H -1.953023 -0.104605 -2.135986
H -2.122655 1.662568 -1.926215
H 5.252711 -0.051913 1.120980
H -0.397546 1.347097 -0.042888
H 4.915254 2.704575 0.857938
H 3.246541 3.191240 1.260523
H 4.197465 2.211683 2.409359
H 5.748459 -2.268559 0.128232
H 4.423264 -3.182417 0.892353
H 4.532937 -3.104682 -0.882200
H -4.370031 2.075158 -1.113273
H -2.070259 -1.163068 0.673147
H -6.175547 1.608048 0.580721
H -3.974567 -1.495316 2.294864


