%chk=000138516.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138516

0 1
 O   0.1481000      -1.952100      -1.515800    
 N  -0.8549000      -2.220100      0.5606000    
 C   -3.114700      -1.223500      0.6528000    
 C   -2.214900      -2.318400      8.4899999E-02
 C   -2.664000      0.1652000      0.2717000    
 C    1.543500      -1.966400      0.4631000    
 C   0.2246000      -2.042900     -0.2933000    
 C    2.277000     -0.6825000      0.2679000    
 C   -1.773800      0.8404000       1.092500    
 C   -3.147400      0.7417000     -0.8927000    
 C    3.193100     -0.5544000     -0.7762000    
 C    2.046400      0.3905000       1.128900    
 C   -1.357000       2.124000      0.7402000    
 C   -2.730400       2.025300      -1.244900    
 C   -1.835100       2.716400     -0.4283000    
 C    3.878900      0.6463000     -0.9590000    
 C    2.732200       1.591400      0.9458000    
 C    3.648400       1.719200     -9.8200001E-02
 H   -4.144700      -1.383100      0.3094000    
 H   -3.152100      -1.302600       1.747500    
 H   -2.589000      -3.297500      0.4031000    
 H   -2.233000      -2.298400      -1.010300    
 H    2.158100      -2.809900      0.1223000    
 H    1.392700      -2.142100       1.535500    
 H  -0.6990000      -2.319300       1.559100    
 H   -1.397500      0.3902000       2.006500    
 H   -3.842900      0.2104000      -1.536000    
 H    3.380500      -1.382000      -1.455300    
 H    1.337600      0.3023000       1.947800    
 H  -0.6607000       2.662600       1.376300    
 H   -3.102000       2.486400      -2.155300    
 H   -1.510100       3.715700     -0.7027000    
 H    4.591900      0.7463000      -1.772200    
 H    2.552400       2.426800       1.616100    
 H    4.182000       2.654300     -0.2408000    


%chk=000138516-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138516

0 1
O -0.729412 -2.944708 -1.068764
N -0.539910 -1.596148 0.821536
C -2.567075 -0.148168 1.178395
C -1.978103 -1.577206 1.124923
C -2.429912 0.687416 -0.093816
C 1.508844 -2.128147 -0.485247
C -0.018045 -2.253399 -0.274424
C 2.223128 -1.050573 0.313936
C -2.423563 2.103540 0.006850
C -2.347228 0.103578 -1.384718
C 2.013346 0.324041 0.015648
C 3.107614 -1.386005 1.371418
C -2.348726 2.918519 -1.144648
C -2.269852 0.916859 -2.539006
C -2.272504 2.325981 -2.426686
C 2.672451 1.332086 0.753079
C 3.769543 -0.378833 2.111824
C 3.554023 0.984160 1.804438
H -3.642651 -0.253046 1.433868
H -2.112421 0.405378 2.024881
H -2.164089 -2.074718 2.097521
H -2.466878 -2.189758 0.347966
H 1.636893 -1.967547 -1.571326
H 1.936396 -3.125389 -0.269738
H 0.090745 -1.015984 1.380477
H -2.479445 2.572227 0.998209
H -2.327594 -0.986095 -1.500969
H 1.330038 0.601288 -0.796871
H 3.282690 -2.442042 1.611656
H -2.348283 4.009934 -1.042329
H -2.204494 0.445473 -3.526316
H -2.213665 2.953142 -3.323451
H 2.501129 2.385891 0.506423
H 4.452890 -0.657574 2.921904
H 4.068319 1.766029 2.374356


