%chk=000117210.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117210

0 1
 O  -0.3716000      -1.064000     -0.3872000    
 O    1.786100       1.526800      0.3517000    
 O   -1.619600      -1.958900       1.320500    
 O    1.539500       3.382500     -0.9881000    
 N   -2.605400      -1.198800     -0.6372000    
 N    1.535200       3.556900       1.304600    
 C    2.074900     -0.7884000     -0.4017000    
 C    3.343700     -0.9681000      0.5195000    
 C   0.8148000      -1.270500      0.3726000    
 C    1.882200      0.7009000     -0.8015000    
 C    2.189900      -1.600100      -1.710600    
 C    3.570500      -2.411100      0.9970000    
 C    4.651600     -0.4638000     -0.1109000    
 C   -1.543700      -1.455400      0.2046000    
 C   -3.980300      -1.496300     -0.3076000    
 C    1.614000       2.865000      0.1212000    
 C   -4.675100     -0.3339000      0.3940000    
 C   -4.728300      0.9276000     -0.4708000    
 C   -5.478400       2.049700      0.2299000    
 H    3.183500     -0.3677000       1.425800    
 H   0.7288000     -0.7328000       1.325000    
 H   0.8871000      -2.342800      0.5846000    
 H   0.9694000      0.8197000      -1.399300    
 H    2.717700       1.042800      -1.423900    
 H    3.067100      -1.305200      -2.294800    
 H    2.258200      -2.675000      -1.515900    
 H    1.315100      -1.445600      -2.352900    
 H    4.458000      -2.466100       1.638200    
 H    2.734200      -2.780000       1.596500    
 H    3.730800      -3.097800      0.1607000    
 H    4.596800      0.5980000     -0.3653000    
 H    5.483300     -0.5739000      0.5945000    
 H    4.912700      -1.025100      -1.013000    
 H   -4.006300      -2.382600      0.3358000    
 H   -4.493300      -1.742600      -1.243100    
 H   -2.408500     -0.7736000      -1.538100    
 H   -5.694800     -0.6408000      0.6559000    
 H   -4.156200     -0.1075000       1.333700    
 H   -3.714900       1.273400     -0.7038000    
 H   -5.223200      0.7047000      -1.423200    
 H   -4.991300       2.317800       1.172800    
 H   -5.505300       2.941300     -0.4043000    
 H   -6.510400       1.756200      0.4469000    
 H    1.602500       3.082900       2.199000    
 H    1.407200       4.563100       1.321000    


%chk=000117210-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117210

0 1
O -0.177266 -1.355019 -0.598385
O 1.249881 1.316636 -0.126550
O -1.604047 -2.330175 1.015098
O -0.758388 1.586707 -1.360066
N -2.403235 -0.992381 -0.760585
N -0.428007 2.572428 0.737606
C 2.219965 -0.959629 -0.505091
C 3.406170 -0.749372 0.512894
C 1.006673 -1.546799 0.262639
C 1.803867 0.389903 -1.151568
C 2.594760 -1.908293 -1.676527
C 3.681767 -1.994455 1.396071
C 4.725372 -0.308063 -0.169046
C -1.437887 -1.622066 -0.013509
C -3.827115 -1.071950 -0.399340
C -0.048581 1.805062 -0.341729
C -4.290412 0.075182 0.532882
C -4.238764 1.471448 -0.128725
C -4.603357 2.607417 0.852417
H 3.084255 0.074072 1.184961
H 0.840927 -1.017577 1.220205
H 1.136821 -2.622916 0.470496
H 1.034849 0.233801 -1.924921
H 2.675903 0.906929 -1.585922
H 3.317147 -1.440109 -2.369636
H 3.046205 -2.843883 -1.301015
H 1.690752 -2.174722 -2.252333
H 4.531778 -1.792273 2.073690
H 2.817099 -2.267873 2.026067
H 3.951445 -2.875933 0.784005
H 4.603147 0.595281 -0.793261
H 5.483319 -0.072576 0.600766
H 5.139799 -1.111297 -0.805765
H -3.983188 -2.042762 0.101996
H -4.424305 -1.066615 -1.331687
H -2.071320 -0.287086 -1.426855
H -5.328095 -0.139632 0.861724
H -3.659600 0.062355 1.443718
H -3.226802 1.648325 -0.544457
H -4.936001 1.492827 -0.991551
H -3.909755 2.624170 1.716561
H -4.565959 3.597371 0.360455
H -5.623887 2.473232 1.257962
H 0.201088 2.698255 1.526874
H -1.348817 3.002957 0.732238


