%chk=000046800.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046800

1 1
 O  -0.3523000     -0.3745000      0.6860000    
 O  -0.6507000     -0.7541000      -1.594100    
 N    4.182700       1.088500     -0.2031000    
 N   -6.526900      0.8281000      0.4060000    
 C    3.180300     -2.2299999E-02  0.1194000    
 C    4.862600      0.7656000      -1.530500    
 C    5.206400       1.169100      0.9259000    
 C    3.510100       2.453600     -0.3327000    
 C    1.881900      0.3423000      0.2482000    
 C    3.675600      -1.276700      0.2472000    
 C   0.9681000     -0.6702000      0.5408000    
 C    2.761700      -2.289200      0.5401000    
 C    1.407900      -1.985800      0.6870000    
 C   -1.092400     -0.4483000     -0.4966000    
 C   -2.519900     -0.1135000     -0.2594000    
 C   -3.483800     -0.7029000      -1.051400    
 C   -2.837500      0.7767000      0.7458000    
 C   -5.171300      0.5097000      0.1813000    
 C   -4.824400     -0.3878000     -0.8285000    
 C   -4.178000       1.092000      0.9686000    
 H    4.092000      0.6379000      -2.297500    
 H    5.515500       1.605200      -1.790500    
 H    5.470000     -0.1379000      -1.429600    
 H    5.799700      0.2513000      0.9581000    
 H    5.870400       2.015500      0.7224000    
 H    4.675400       1.326800       1.870200    
 H    3.052200       2.731100      0.6225000    
 H    4.289700       3.188000     -0.5654000    
 H    2.797100       2.435400      -1.163600    
 H    1.480000       1.341000      0.1489000    
 H    4.721100      -1.537700      0.1390000    
 H    3.103800      -3.313700      0.6542000    
 H   0.7016000      -2.779100      0.9161000    
 H   -3.226100      -1.405400      -1.838300    
 H   -2.081500       1.252900       1.362800    
 H   -5.589400     -0.8489000      -1.448200    
 H   -4.435600       1.794900       1.756700    
 H   -6.779400       1.478700       1.137900    
 H   -7.247300      0.4062000     -0.1647000    


%chk=000046800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046800

1 1
O -0.418368 -0.476012 0.580164
O -0.497023 1.371324 -0.906303
N 4.302142 0.878098 -0.555554
N -6.776736 0.136248 0.235817
C 3.274839 -0.008509 0.161892
C 5.186242 0.008512 -1.460241
C 5.171677 1.595832 0.486543
C 3.650761 1.948000 -1.434150
C 1.903596 0.237968 -0.021372
C 3.753921 -1.045633 0.990181
C 0.973160 -0.596744 0.656812
C 2.807936 -1.861876 1.651588
C 1.426801 -1.646250 1.491452
C -1.119017 0.526607 -0.212134
C -2.561270 0.385019 -0.065970
C -3.398855 1.298734 -0.776799
C -3.173636 -0.615368 0.747797
C -5.403010 0.217183 0.136587
C -4.788976 1.221705 -0.680955
C -4.564577 -0.700835 0.848789
H 4.542953 -0.491434 -2.198981
H 5.922318 0.654480 -1.963618
H 5.702594 -0.745983 -0.852047
H 5.701568 0.852235 1.096711
H 5.896230 2.239195 -0.036938
H 4.515078 2.198986 1.130481
H 3.038884 2.616467 -0.812372
H 4.455433 2.522849 -1.917450
H 3.026616 1.466624 -2.200244
H 1.501632 1.029760 -0.651343
H 4.820501 -1.240542 1.138971
H 3.158246 -2.672287 2.297263
H 0.690607 -2.273847 2.000456
H -2.928354 2.064573 -1.402044
H -2.543322 -1.319566 1.296441
H -5.417958 1.930337 -1.231442
H -5.022268 -1.473832 1.476459
H -7.221706 -0.573732 0.813131
H -7.379357 0.784215 -0.266580


