%chk=000015022.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015022

0 1
 O    4.819800      0.8574000     -0.5628000    
 N    2.416700     -0.3380000      0.3843000    
 N   -2.548100      -3.005300      -1.239100    
 C   0.1580000      -1.197100     -4.6200000E-02
 C    1.024000     -0.2760000      0.8230000    
 C   -1.358900      -1.229000      0.3323000    
 C    2.548100      0.1288000      -1.002800    
 C    3.278000      0.4601000       1.267900    
 C    4.010600      6.6000000E-02  -1.433600    
 C    4.723300      0.3906000      0.7834000    
 C   -2.013300      0.1449000      0.1086000    
 C   -1.503400      -1.767200       1.776800    
 C   -2.028300      -2.227100     -0.5522000    
 C   -1.971000      0.6886000      -1.150500    
 C   -2.609000      0.7638000       1.178500    
 C   -2.564200       1.934600      -1.353200    
 C   -3.202300       2.009800      0.9757000    
 C   -3.180000       2.595300     -0.2901000    
 H   0.2214000     -0.9315000      -1.104700    
 H   0.5626000      -2.218300      2.1800000E-02
 H   0.6483000      0.7537000      0.7897000    
 H   0.9732000     -0.6109000       1.864500    
 H    2.179500       1.158200      -1.099500    
 H    2.010800     -0.5008000      -1.715100    
 H    3.229400      7.8599997E-02   2.294200    
 H    2.946900       1.506700       1.277700    
 H    4.386200     -0.9646000      -1.446100    
 H    4.119600      0.4700000      -2.445400    
 H    5.355800       1.033100       1.404200    
 H    5.122800     -0.6289000      0.8468000    
 H   -2.554800      -1.931500       2.046700    
 H   -1.063000      -1.104200       2.528700    
 H   -1.005200      -2.740100       1.880100    
 H   -1.505600      0.1898000      -1.994000    
 H   -2.657300      0.3555000       2.179600    
 H   -2.548600       2.389900      -2.339200    
 H   -3.682400       2.524700       1.802900    
 H   -3.642500       3.565200     -0.4482000    


%chk=000015022-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015022

0 1
O 4.817770 1.062682 -0.454169
N 2.363904 -0.278051 0.342079
N -2.566400 -3.247570 -1.027486
C 0.146235 -1.392918 0.097991
C 1.018961 -0.441622 0.947383
C -1.390428 -1.349374 0.456188
C 2.381186 0.709189 -0.769659
C 3.416908 0.059311 1.335377
C 3.767980 0.730649 -1.432342
C 4.791722 0.084535 0.645937
C -1.984057 0.034031 0.075413
C -1.615940 -1.732786 1.947838
C -2.053829 -2.391589 -0.372269
C -2.112077 0.379552 -1.295744
C -2.365298 0.987024 1.050864
C -2.600887 1.645135 -1.681893
C -2.855796 2.256829 0.666447
C -2.972333 2.593306 -0.699972
H 0.257207 -1.138212 -0.971296
H 0.517291 -2.427097 0.218379
H 0.503243 0.541562 1.076843
H 1.155753 -0.870610 1.957625
H 2.135718 1.736376 -0.398654
H 1.620900 0.434873 -1.524264
H 3.420827 -0.709779 2.131033
H 3.233076 1.054387 1.814212
H 3.978498 -0.261875 -1.885778
H 3.827948 1.514081 -2.205744
H 5.582544 0.404477 1.344443
H 5.025416 -0.928160 0.252000
H -2.690391 -1.746375 2.197401
H -1.110254 -1.019023 2.619401
H -1.200956 -2.736239 2.144006
H -1.850436 -0.355102 -2.067297
H -2.294389 0.749171 2.116713
H -2.699149 1.888406 -2.745600
H -3.148664 2.979595 1.436221
H -3.354703 3.576012 -0.996925


