%chk=000002401.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002401

0 1
 O    2.009800      -3.968300     -0.9596000    
 O    4.973800     -0.6670000      -2.087200    
 N   -5.713800     -0.2678000      1.2200000E-02
 N   -1.605600      -1.264000     -6.0400002E-02
 N    3.747800      -2.590000      -1.648000    
 N    2.156100       2.927600      -1.538300    
 C   -4.890100      0.4599000     -0.9615000    
 C   -5.305800       1.935800      -1.031000    
 C   -3.420500      0.3356000     -0.5643000    
 C   -6.792200       2.077600      -1.346900    
 C   -7.627100       1.246300     -0.3788000    
 C   -7.135900     -0.1982000     -0.3245000    
 C   -3.005500      -1.126500     -0.4480000    
 C   -1.148400      -1.338800       1.228600    
 C   0.5877000      -1.462000     -0.2249000    
 C  -0.5754000      -1.336500     -0.9489000    
 C   0.2405000      -1.465100       1.155200    
 C    1.890900      -1.567500     -0.8040000    
 C    2.766700     -0.5975000      -1.124900    
 C   -1.840500      -1.305800       2.444500    
 C   0.9768000      -1.563100       2.352500    
 C    2.634700      0.8218000      -1.012000    
 C    2.516800      -2.873100      -1.135100    
 C   -1.089100      -1.404700       3.619000    
 C    3.981700      -1.247300      -1.679900    
 C   0.2979000      -1.531500       3.576100    
 C    2.980400       1.650300      9.4599999E-02
 C    2.130400       1.639000      -1.999800    
 C    2.670400       2.964500     -0.2618000    
 C    3.529300       1.404700       1.368900    
 C    2.882800       4.049700      0.5960000    
 C    3.747200       2.480400       2.237400    
 C    3.428100       3.781700       1.854800    
 H   -5.020700      1.6000000E-03  -1.951000    
 H   -4.720400       2.455200      -1.799100    
 H   -5.091800       2.435200     -7.6899998E-02
 H   -2.793800      0.8411000      -1.310500    
 H   -3.237200      0.8494000      0.3890000    
 H   -6.981100       1.742300      -2.374100    
 H   -7.089600       3.130500      -1.291800    
 H   -7.575400       1.691200      0.6230000    
 H   -8.679200       1.269000     -0.6843000    
 H   -5.570600      0.1330000      0.9396000    
 H   -7.706700     -0.7502000      0.4302000    
 H   -7.316400     -0.6995000      -1.283000    
 H   -3.124300      -1.639400      -1.410500    
 H   -3.597700      -1.683300      0.2850000    
 H  -0.7480000      -1.291700      -2.016700    
 H   -2.919300      -1.202900       2.489600    
 H    2.058400      -1.663500       2.337000    
 H   -1.595800      -1.381100       4.580400    
 H   0.8607000      -1.606500       4.502700    
 H    4.407700      -3.291000      -1.965500    
 H    1.754200       1.421800      -2.990400    
 H    1.842900       3.735500      -2.058500    
 H    3.785000      0.3966000       1.682600    
 H    2.634700       5.063200      0.2991000    
 H    4.170300       2.296700       3.221500    
 H    3.605700       4.602400       2.545200    


%chk=000002401-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002401

0 1
O 3.167278 -3.830945 0.738763
O 5.520207 -0.650686 -1.759658
N -5.225273 0.141679 0.298175
N -1.219186 -1.228241 -0.190187
N 4.609882 -2.441662 -0.506211
N 2.940456 2.640464 -2.549216
C -4.275471 1.126034 -0.304612
C -4.576833 2.586407 0.133640
C -2.829553 0.696458 0.015496
C -6.053310 2.950952 -0.160607
C -7.024596 1.923667 0.471462
C -6.650309 0.483021 0.032999
C -2.463283 -0.628079 -0.697437
C -1.118600 -2.048750 0.951185
C 1.022400 -1.652892 0.107283
C 0.053925 -0.986100 -0.674384
C 0.273698 -2.350519 1.160453
C 2.445936 -1.604668 -0.180357
C 3.179722 -0.633932 -0.875774
C -2.147995 -2.531481 1.787811
C 0.622498 -3.171133 2.265794
C 2.847267 0.715436 -1.311060
C 3.378655 -2.762160 0.110695
C -1.767894 -3.339526 2.878102
C 4.561591 -1.176613 -1.131821
C -0.397338 -3.650378 3.112311
C 1.977573 1.716378 -0.689134
C 3.425064 1.342498 -2.431877
C 2.053895 2.907876 -1.493542
C 1.193144 1.750325 0.494193
C 1.356569 4.092455 -1.177996
C 0.495017 2.931641 0.819747
C 0.566802 4.088060 -0.008822
H -4.429336 1.069630 -1.405342
H -3.895512 3.285716 -0.390772
H -4.372143 2.687229 1.220639
H -2.121802 1.494225 -0.277889
H -2.721892 0.562753 1.111562
H -6.208827 2.967262 -1.259709
H -6.277098 3.970263 0.207381
H -6.971534 1.993878 1.577754
H -8.069363 2.150044 0.180747
H -5.056666 0.082118 1.316712
H -7.288407 -0.263152 0.541292
H -6.823483 0.373854 -1.056373
H -2.344751 -0.453758 -1.782524
H -3.293696 -1.343329 -0.563180
H 0.207675 -0.372780 -1.559489
H -3.200477 -2.294612 1.598029
H 1.663787 -3.452729 2.433254
H -2.536086 -3.737535 3.550607
H -0.132005 -4.287304 3.963378
H 5.432207 -3.043946 -0.485358
H 4.156546 0.936460 -3.125565
H 3.210661 3.301955 -3.274004
H 1.140269 0.878232 1.151301
H 1.433386 4.988777 -1.803619
H -0.107225 2.965355 1.734533
H 0.015331 4.991609 0.273822


