%chk=000100473.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100473

0 1
 O   -3.973000       2.510600     -0.2620000    
 O    5.697600     -0.2409000      0.8473000    
 O  -0.3298000       1.022300     -0.2968000    
 O   -1.762100      -3.292400      0.4138000    
 N   -1.117400      -1.127100      6.4499997E-02
 N    1.195000     -0.6929000     -0.1612000    
 N  -0.7761000      -2.568000      0.2412000    
 C   -2.506700     -0.7393000      0.1064000    
 C    2.347100      0.1518000     -0.3644000    
 C   -2.939700     -0.1291000      -1.229000    
 C   -2.759500      0.2238000       1.268300    
 C    3.452900     -0.6076000      -1.101600    
 C    2.846400      0.7077000      0.9710000    
 C   -4.396000      0.3362000      -1.189700    
 C   -4.216000      0.6873000       1.308300    
 C   -4.666200       1.287300     -2.4300000E-02
 C    4.703700      0.2537000      -1.282400    
 C    4.095800       1.570300      0.7895000    
 C    5.204600      0.8281000      4.2399999E-02
 C  -0.1006000     -0.1816000     -0.1413000    
 H   -3.150700      -1.609600      0.2760000    
 H    2.040100      0.9974000     -0.9940000    
 H   -2.821300     -0.8710000      -2.028800    
 H   -2.318500      0.7245000      -1.517400    
 H   -2.122700       1.112500       1.219100    
 H   -2.513900     -0.2699000       2.217200    
 H    3.090500     -0.9348000      -2.084000    
 H    3.712500      -1.521000     -0.5506000    
 H    3.065700     -0.1177000       1.661000    
 H    2.061100       1.305800       1.449300    
 H   -4.633900      0.8265000      -2.141200    
 H   -5.050700     -0.5396000      -1.102200    
 H   -4.859700     -0.1639000       1.561200    
 H   -4.325100       1.430900       2.106600    
 H   -5.735200       1.522400      2.6100000E-02
 H    5.486900     -0.3598000      -1.743000    
 H    4.478900       1.074800      -1.973900    
 H    3.829200       2.478800      0.2358000    
 H    4.452700       1.881500       1.778200    
 H    6.043700       1.506200     -0.1488000    
 H    1.365200      -1.667500      5.9799999E-02
 H   -4.303700       2.878200      -1.099300    
 H    6.023000      0.1443000       1.678700    


%chk=000100473-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100473

0 1
O -4.363907 2.516295 -0.163626
O 5.804300 -0.411530 0.837859
O -0.277051 1.154850 -0.363769
O -1.635950 -3.194682 0.455836
N -1.109927 -1.019478 0.048945
N 1.227073 -0.629877 -0.175141
N -0.701269 -2.346613 0.249711
C -2.540717 -0.607038 0.080992
C 2.447041 0.182021 -0.355049
C -3.013850 -0.014618 -1.270044
C -2.851441 0.358140 1.253457
C 3.531962 -0.650164 -1.076103
C 2.975971 0.718562 1.000813
C -4.536963 0.248697 -1.207058
C -4.375133 0.618074 1.316571
C -4.926944 1.156387 -0.016505
C 4.821030 0.178923 -1.280325
C 4.260477 1.553454 0.794651
C 5.351748 0.755541 0.044341
C -0.021971 -0.068351 -0.177876
H -3.079415 -1.561384 0.257560
H 2.163547 1.048287 -0.984706
H -2.786102 -0.718408 -2.092943
H -2.470560 0.926795 -1.460201
H -2.318698 1.310291 1.094116
H -2.504660 -0.081961 2.207508
H 3.148178 -1.004819 -2.051179
H 3.779216 -1.540209 -0.464207
H 3.193085 -0.141753 1.663371
H 2.193349 1.331482 1.484282
H -4.877969 0.707855 -2.157406
H -5.082793 -0.712059 -1.107323
H -4.914748 -0.317412 1.566679
H -4.598082 1.352346 2.111815
H -6.035811 1.222701 0.043143
H 5.607706 -0.449218 -1.735730
H 4.625020 1.021137 -1.973614
H 4.024223 2.463951 0.206537
H 4.650347 1.902556 1.772245
H 6.221032 1.417426 -0.162092
H 1.295138 -1.636788 0.005310
H -4.627728 2.881021 -1.046153
H 6.145346 -0.091227 1.711107


