%chk=000046781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046781

1 1
 O    3.448100       1.593500      -1.442300    
 N   0.2345000      -1.787200     -0.1215000    
 C  -0.8449000      -1.381000      -1.122800    
 C    1.165300     -0.6239000      0.2295000    
 C  -0.4551000      -2.265600       1.152900    
 C    1.062400      -2.907700     -0.7445000    
 C   -1.728300     -0.2777000     -0.6196000    
 C    1.866400     -7.0100002E-02 -0.7886000    
 C    1.210500     -0.2469000       1.529900    
 C   -2.884100     -0.5892000      8.7800004E-02
 C   -1.383700       1.046900     -0.8655000    
 C    2.715200      0.9892000     -0.4677000    
 C    2.059300      0.8123000       1.850900    
 C    2.811600       1.430400      0.8520000    
 C   -3.705800      0.4367000      0.5552000    
 C   -2.205100       2.072700     -0.3980000    
 C   -3.366200       1.767500      0.3123000    
 H   -1.440900      -2.277500      -1.341700    
 H  -0.3632000      -1.097200      -2.067000    
 H   -1.025000      -1.475500       1.647200    
 H   -1.147000      -3.067500      0.8682000    
 H   0.2929000      -2.714800       1.817300    
 H    1.884400      -3.153800     -6.4599998E-02
 H   0.4119000      -3.779900     -0.8667000    
 H    1.441100      -2.598500      -1.722600    
 H    1.799000     -0.3973000      -1.819500    
 H   0.6814000     -0.6703000       2.370700    
 H   -3.170800      -1.620600      0.2731000    
 H  -0.4999000       1.306300      -1.439300    
 H    2.138000       1.155200       2.878700    
 H    3.469300       2.254400       1.115200    
 H   -4.611600      0.1992000       1.105300    
 H   -1.944000       3.108800     -0.5923000    
 H   -4.006800       2.566200      0.6745000    
 H    3.977500       2.305100      -1.042900    


%chk=000046781-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046781

1 1
O 3.677161 1.345506 -1.619060
N 0.253700 -1.761389 -0.060759
C -0.839506 -1.273162 -1.112975
C 1.222647 -0.628776 0.264149
C -0.461244 -2.293573 1.175073
C 1.025438 -2.932070 -0.686731
C -1.798659 -0.240030 -0.578054
C 2.017705 -0.131374 -0.787912
C 1.315698 -0.099367 1.567368
C -3.081611 -0.637078 -0.113617
C -1.460176 1.139620 -0.583062
C 2.932468 0.915425 -0.526822
C 2.238243 0.946415 1.806928
C 3.047976 1.460823 0.777272
C -4.003281 0.324306 0.354060
C -2.381053 2.099782 -0.112606
C -3.651586 1.694283 0.359508
H -1.359587 -2.199967 -1.411281
H -0.254330 -0.897544 -1.966700
H -1.059863 -1.494505 1.630919
H -1.130070 -3.107272 0.855955
H 0.283611 -2.681358 1.885470
H 1.832374 -3.229257 -0.000787
H 0.329360 -3.770071 -0.846410
H 1.455878 -2.622307 -1.648327
H 1.978201 -0.510298 -1.813181
H 0.703870 -0.459924 2.395072
H -3.371940 -1.695220 -0.140394
H -0.486112 1.464013 -0.966567
H 2.319499 1.363925 2.814892
H 3.756456 2.270810 0.984952
H -4.993620 0.010621 0.698838
H -2.116567 3.161901 -0.126777
H -4.368468 2.441843 0.714388
H 4.313788 2.067466 -1.389222


