%chk=000118545.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118545

0 1
 O  -0.2304000      0.4307000      -1.718600    
 N    1.122900      -1.051600     -0.5670000    
 N   -1.251400      -1.168300     -0.3935000    
 N    4.012500       1.192600       1.940200    
 N   -2.805400       2.827800      0.7415000    
 C    2.974400      0.6324000     -0.2957000    
 C   -3.152100      0.4101000      8.9699998E-02
 C    2.348400     -0.5066000      -1.136300    
 C   -2.593600     -0.7476000     -0.7728000    
 C    1.274700      -2.239400      0.2689000    
 C   -1.163400      -2.360600      0.4448000    
 C   0.1234000      -2.382000       1.239000    
 C  -0.1269000     -0.5316000     -0.9501000    
 C    3.352500      0.1669000       1.137100    
 C   -2.274200       1.688200     -1.4000000E-03
 C    1.976200       1.803000     -0.1739000    
 C    4.221800       1.150900      -1.041000    
 C   -3.218500     -2.4100000E-02   1.569100    
 C   -4.590900      0.7094000     -0.3800000    
 H    2.123200     -0.1343000      -2.143900    
 H    3.065000      -1.327400      -1.267300    
 H   -3.257100      -1.621200     -0.7366000    
 H   -2.565600     -0.4276000      -1.822400    
 H    2.220400      -2.211800      0.8147000    
 H    1.315300      -3.101600     -0.4079000    
 H   -1.222900      -3.228800     -0.2224000    
 H   -2.015700      -2.409200       1.127400    
 H   0.2106000      -3.314500       1.806100    
 H   0.1342000      -1.551700       1.955700    
 H    2.460500     -0.1503000       1.687000    
 H    4.025800     -0.6956000       1.071900    
 H   -1.270800       1.494800      0.3873000    
 H   -2.178700       1.990200      -1.050200    
 H    1.603400       2.109200      -1.157300    
 H    2.445600       2.692300      0.2620000    
 H    1.122700       1.548300      0.4615000    
 H    4.985600      0.3685000      -1.113800    
 H    3.969200       1.464800      -2.060400    
 H    4.673300       2.014000     -0.5401000    
 H   -3.748200     -0.9777000       1.674200    
 H   -3.765500      0.7002000       2.183200    
 H   -2.221600     -0.1346000       2.008500    
 H   -4.596400       1.069900      -1.414800    
 H   -5.213700     -0.1917000     -0.3386000    
 H   -5.078800       1.468100      0.2414000    
 H    4.256300      0.8015000       2.849500    
 H    3.365200       1.955900       2.129900    
 H   -2.192500       3.631200      0.6069000    
 H   -2.789600       2.629800       1.740600    


%chk=000118545-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118545

0 1
O -0.189260 0.446833 -1.656975
N 1.155430 -0.999262 -0.400859
N -1.244218 -1.088002 -0.244010
N 4.454791 1.138459 1.814943
N -3.225049 2.796653 0.886770
C 3.138535 0.672715 -0.293897
C -3.345003 0.395867 0.084097
C 2.364122 -0.451094 -1.058900
C -2.565351 -0.660431 -0.763104
C 1.290339 -2.264917 0.352025
C -1.200885 -2.327046 0.562657
C 0.121992 -2.424094 1.335426
C -0.096837 -0.510371 -0.815815
C 3.682498 0.128469 1.063367
C -2.534206 1.731040 0.127549
C 2.212495 1.887734 -0.036404
C 4.324987 1.099821 -1.195085
C -3.600906 -0.096554 1.529830
C -4.702851 0.639183 -0.621334
H 2.051617 -0.039595 -2.035338
H 3.057973 -1.297164 -1.248586
H -3.196781 -1.568165 -0.860394
H -2.403842 -0.244137 -1.773955
H 2.251145 -2.253717 0.894136
H 1.317525 -3.133960 -0.344190
H -1.319384 -3.219078 -0.093939
H -2.054639 -2.323777 1.260959
H 0.186904 -3.402493 1.845394
H 0.170319 -1.629141 2.102344
H 2.816160 -0.270034 1.645135
H 4.361247 -0.723863 0.855684
H -1.522585 1.510091 0.531546
H -2.376854 2.075227 -0.910595
H 1.732096 2.218396 -0.972828
H 2.790783 2.734026 0.379627
H 1.401016 1.627857 0.669767
H 4.935445 0.226250 -1.499103
H 3.965085 1.601640 -2.112524
H 4.977284 1.792994 -0.637364
H -4.154217 -1.055853 1.540385
H -4.212002 0.647989 2.071910
H -2.652147 -0.233442 2.084069
H -4.558375 0.904885 -1.686634
H -5.350632 -0.257690 -0.576560
H -5.220050 1.478704 -0.124847
H 5.133441 0.754707 2.476768
H 3.886491 1.881017 2.231002
H -3.178357 3.724772 0.462471
H -3.016092 2.819451 1.887485


