%chk=000016804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016804

0 1
 O   0.4255000       1.009300       0.000000    
 N   0.5140000      -1.255300      1.9999999E-04
 N   -4.466800      0.1349000     -9.9999997E-05
 C    1.740000      0.6397000       0.000000    
 C    1.790200     -0.7465000      1.9999999E-04
 C  -0.2411000     -0.1788000       0.000000    
 C   -1.674100     -7.2700001E-02  9.9999997E-05
 C    2.852300       1.472300     -9.9999997E-05
 C    3.041500      -1.379300       0.000000    
 C    4.092900      0.8253000     -1.9999999E-04
 C    4.188200     -0.5718000     -9.9999997E-05
 C   -2.286300       1.178700      1.9999999E-04
 C   -2.464400      -1.219900     -1.9999999E-04
 C   -3.670800       1.227700      9.9999997E-05
 C   -3.841200      -1.063500     -9.9999997E-05
 H    2.767700       2.551700     -1.9999999E-04
 H    3.127200      -2.460800      9.9999997E-05
 H    5.002800       1.420700     -3.0000001E-04
 H    5.169400      -1.040200     -9.9999997E-05
 H   -1.728300       2.109300      5.0000002E-04
 H   -2.034600      -2.216600     -3.9999999E-04
 H   -4.193200       2.178800      9.9999997E-05
 H   -4.498300      -1.926900     -1.9999999E-04


%chk=000016804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016804

0 1
O 0.467824 1.120667 -0.000025
N 0.506253 -1.201981 -0.000061
N -4.571965 0.076064 0.000052
C 1.819988 0.708318 -0.000042
C 1.838655 -0.717325 -0.000066
C -0.264144 -0.118236 -0.000030
C -1.721114 -0.035637 -0.000008
C 2.970980 1.503314 -0.000035
C 3.070737 -1.405140 -0.000079
C 4.199603 0.799672 -0.000051
C 4.247300 -0.624557 -0.000071
C -2.399550 1.211573 0.000069
C -2.496023 -1.226590 -0.000059
C -3.810605 1.212231 0.000100
C -3.900912 -1.117888 -0.000031
H 2.927295 2.595292 -0.000017
H 3.101430 -2.498084 -0.000097
H 5.137011 1.365610 -0.000049
H 5.222832 -1.121823 -0.000081
H -1.838316 2.149801 0.000100
H -1.998537 -2.200414 -0.000116
H -4.366610 2.156255 0.000167
H -4.529533 -2.015022 -0.000071


