%chk=000028434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028434

0 1
 O    2.899000       2.175200       1.120200    
 O    2.967800      -2.015800      -1.280100    
 N    1.480300      3.1500001E-02 -2.5500000E-02
 N  -0.4981000     -0.9862000      0.8331000    
 N   -1.854400      -1.056000      0.9082000    
 N   -4.008600     -0.2511000      0.2797000    
 N   -4.813900      0.4120000     -0.6132000    
 C    2.137800       1.022700     -0.8448000    
 C    2.306600     -0.9012000      0.7422000    
 C   8.2900003E-02 -4.0300000E-02  5.3700000E-02
 C    2.200600       2.348900     -0.1062000    
 C    2.409200      -2.228500      1.0200000E-02
 C  -0.6655000      0.8692000     -0.6781000    
 C   -2.045300      0.7980000     -0.6016000    
 C   -2.598400     -0.1784000      0.2022000    
 H    1.687200       1.126000      -1.838100    
 H    3.168100      0.7002000      -1.046100    
 H    1.908300      -1.045100       1.753400    
 H    3.315600     -0.4894000      0.8664000    
 H    1.213200       2.752600      0.1313000    
 H    2.732400       3.097000     -0.7028000    
 H    1.431000      -2.703100     -0.1131000    
 H    3.060900      -2.913300      0.5619000    
 H  -0.2514000       1.641500      -1.313700    
 H   -2.632900       1.513700      -1.166600    
 H    3.805000       1.895500      0.9045000    
 H    3.027100      -2.885000      -1.711900    
 H   -4.403900     -0.9924000      0.8457000    
 H   -5.716000      0.5845000     -0.1716000    
 H   -5.001200     -0.2036000      -1.403600    


%chk=000028434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028434

0 1
O 3.439437 2.203414 0.935909
O 3.509410 -1.860137 -0.931201
N 1.385015 0.059901 0.001121
N -0.589718 -1.071142 0.619899
N -1.952147 -1.202150 0.654034
N -4.117522 -0.537462 0.111557
N -5.064803 0.318135 -0.453747
C 2.140980 0.995349 -0.843569
C 2.130532 -0.910599 0.824686
C -0.008923 0.004739 -0.030734
C 2.478522 2.343992 -0.170174
C 2.489691 -2.204823 0.087120
C -0.818083 0.995975 -0.684137
C -2.205121 0.848280 -0.664703
C -2.745516 -0.279178 0.020455
H 1.577309 1.193131 -1.776813
H 3.073287 0.484803 -1.150383
H 1.505901 -1.177137 1.693463
H 3.052983 -0.424898 1.189168
H 1.583404 2.785331 0.297892
H 2.866386 3.049347 -0.939340
H 1.580462 -2.629861 -0.379687
H 2.904990 -2.935731 0.813561
H -0.371500 1.867117 -1.170877
H -2.880707 1.565809 -1.136547
H 4.274128 1.805457 0.578153
H 3.683943 -2.648694 -1.502292
H -4.382776 -1.369496 0.648672
H -5.617987 0.868595 0.208594
H -5.578180 -0.058970 -1.254376


