%chk=000100622.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100622

0 1
 O    4.467000      0.3216000      0.4596000    
 O   0.1127000      -1.401700      -1.078900    
 N   -1.829700      0.2461000     -0.4572000    
 N    1.722100     -0.1458000      2.7000001E-02
 N   -4.433500     -0.1433000      0.7546000    
 C   -1.996500     -0.5978000      0.7330000    
 C   -2.849100       1.302700     -0.4883000    
 C  -0.4860000      0.8190000     -0.5038000    
 C   -3.407800      -1.188200      0.7852000    
 C   -4.255400      0.7011000     -0.4287000    
 C   0.4689000     -0.3471000     -0.5473000    
 C    2.176300       1.093900      0.6659000    
 C    2.661300      -1.261100      0.1446000    
 C    3.593900       1.428400      0.2193000    
 C    4.055800     -0.8278000     -0.2849000    
 H   -1.818900     -1.1600000E-02   1.645800    
 H   -1.308800      -1.447700      0.7707000    
 H   -2.757700       1.878800      -1.417000    
 H   -2.713100       2.003500      0.3466000    
 H  -0.3336000       1.416100      -1.409200    
 H  -0.3455000       1.446700      0.3782000    
 H   -3.523000      -1.764000       1.710200    
 H   -3.558800      -1.886700     -4.7800001E-02
 H   -4.458300      0.1194000      -1.337000    
 H   -4.992000       1.511500     -0.3973000    
 H    2.145000      0.9192000       1.747300    
 H    1.540400       1.947300      0.4317000    
 H    2.329200      -2.121800     -0.4435000    
 H    2.664900      -1.553200       1.201400    
 H   -5.357500     -0.5732000      0.7307000    
 H    3.626300       1.688000     -0.8457000    
 H    3.973900       2.285200      0.7843000    
 H    4.775300      -1.629400     -9.1200002E-02
 H    4.090700     -0.5963000      -1.356200    


%chk=000100622-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100622

0 1
O 4.615127 0.558991 -0.277417
O 0.269998 -1.740922 -0.189529
N -1.840831 0.162428 -0.079854
N 1.900959 -0.179947 0.345476
N -4.677578 -0.075172 0.284424
C -2.403850 -0.775119 0.928683
C -2.742954 1.323872 -0.294096
C -0.470452 0.590188 0.219401
C -3.797920 -1.250395 0.487092
C -4.133000 0.838213 -0.742876
C 0.574531 -0.544476 0.101061
C 2.402478 1.168146 0.684689
C 2.963616 -1.210109 0.293295
C 3.540744 1.561273 -0.284540
C 4.079605 -0.762214 -0.666576
H -2.492464 -0.278409 1.929117
H -1.727421 -1.640834 1.009083
H -2.309082 1.973196 -1.079006
H -2.864760 1.932172 0.638881
H -0.201110 1.387431 -0.502156
H -0.376991 1.046185 1.244246
H -4.230401 -1.894217 1.274807
H -3.674048 -1.861597 -0.439322
H -4.020816 0.350278 -1.742370
H -4.807542 1.707747 -0.851926
H 2.798808 1.160386 1.721155
H 1.595707 1.915380 0.633724
H 2.499383 -2.153751 -0.039001
H 3.384085 -1.352979 1.309380
H -5.654330 -0.338188 0.101720
H 3.132943 1.672820 -1.313509
H 4.015492 2.505902 0.029067
H 4.940819 -1.448565 -0.624942
H 3.689751 -0.715912 -1.706085


