%chk=000101844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101844

0 1
 O   0.2360000       1.282500      -1.231100    
 O   -2.214300      -2.579700      1.0800000E-02
 O   -4.039200       1.614600      0.4113000    
 N   -1.884200       1.437000     -0.3650000    
 N   -3.096700     -0.4742000      0.2491000    
 C    1.585800     -0.4338000      0.5310000    
 C    2.304000      -1.076300     -0.6299000    
 C   0.2065000     -0.9471000      0.8210000    
 C    3.800600     -0.7572000     -0.6770000    
 C    4.060100      0.7163000     -0.3867000    
 C  -0.7365000     -0.7288000     -0.3608000    
 C    3.510300       1.110800      0.9842000    
 C    2.149300      0.5436000       1.262100    
 C  -0.7400000      0.7413000     -0.7104000    
 C   -2.071500      -1.357600     -3.5599999E-02
 C   -3.070100      0.9085000      0.1271000    
 H    2.187000      -2.165700     -0.5826000    
 H    1.852400     -0.7471000      -1.572300    
 H   0.2704000      -2.015600       1.064900    
 H  -0.2063000     -0.4628000       1.716700    
 H    4.330100      -1.372000      6.2100001E-02
 H    4.204400      -1.025000      -1.660000    
 H    3.585100       1.328800      -1.163700    
 H    5.134800      0.9265000     -0.4285000    
 H  -0.3815000      -1.257300      -1.255500    
 H    3.468300       2.204100       1.049300    
 H    4.193800      0.7685000       1.770300    
 H    1.609600      0.9706000       2.103200    
 H   -1.869700       2.440400     -0.5251000    
 H   -3.979000     -0.8841000      0.5431000    


%chk=000101844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101844

0 1
O -0.041889 1.333547 -1.577409
O -2.250213 -2.633186 -0.020420
O -4.127593 1.579805 0.636687
N -2.016738 1.443403 -0.364861
N -3.138337 -0.519154 0.338869
C 1.616850 -0.384672 0.476712
C 2.353322 -1.042317 -0.683448
C 0.209899 -0.866618 0.769122
C 3.881785 -0.815809 -0.611936
C 4.195516 0.671639 -0.332135
C -0.791993 -0.715639 -0.459667
C 3.604407 1.107323 1.030193
C 2.197687 0.579950 1.243863
C -0.901309 0.743431 -0.876378
C -2.102605 -1.385299 -0.064707
C -3.158029 0.886836 0.241869
H 2.129090 -2.129095 -0.701576
H 1.965053 -0.625627 -1.636392
H 0.208642 -1.950526 1.001403
H -0.211641 -0.333954 1.642645
H 4.311881 -1.438643 0.198019
H 4.354678 -1.140158 -1.558109
H 3.752966 1.290024 -1.137524
H 5.287447 0.849318 -0.345752
H -0.361367 -1.281558 -1.302491
H 3.596559 2.213168 1.106955
H 4.255673 0.754328 1.858780
H 1.627963 1.013861 2.079879
H -2.054276 2.453584 -0.535863
H -3.993930 -0.948761 0.705669


