%chk=000002569.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002569

0 1
 O    1.506700     -0.9053000      -2.311100    
 O   0.2315000       1.488100      -1.533600    
 O   -2.658400      -1.855500       1.415000    
 O    2.416900      0.2952000      0.9967000    
 O    3.939000       2.022400      0.9908000    
 N  -0.1891000      -2.675000      0.7724000    
 N   -2.238000       2.307300     -0.8914000    
 N    3.078200       1.194200       2.955500    
 C   0.1845000      -3.666900     -0.2317000    
 C   -1.082000      -3.807400      0.5445000    
 C   -1.345400       3.440000     -0.6635000    
 C   -2.612100       3.299300      0.1124000    
 C  -0.6000000      -1.449500      0.3239000    
 C   -1.827100       1.082000     -0.4426000    
 C   0.1215000     -0.5960000     -0.4214000    
 C   -2.548500      0.2285000      0.3027000    
 C  -0.4402000      0.7161000     -0.8502000    
 C   -1.986500      -1.083300      0.7320000    
 C    1.528600     -0.8563000     -0.8916000    
 C   -3.955700      0.4885000      0.7727000    
 C    2.465800      0.2429000     -0.4257000    
 C    2.801200      -1.148500      -2.845500    
 C    3.209200       1.239400       1.589600    
 H   0.1083000      -3.378100      -1.270300    
 H    1.035600      -4.264900      5.8699999E-02
 H   -1.992300      -3.669400     -2.2200000E-02
 H   -1.105500      -4.503800       1.369300    
 H  -0.4350000       3.301800     -9.6900001E-02
 H   -1.321800       4.136200      -1.488600    
 H   -3.463800       3.896100     -0.1786000    
 H   -2.540500       3.005900       1.150000    
 H    1.904600      -1.807800     -0.5021000    
 H   -4.425800       1.339000      0.2714000    
 H   -4.596400     -0.3761000      0.5656000    
 H   -3.966400      0.6772000       1.851100    
 H    3.497600     -2.3800001E-02 -0.6869000    
 H    2.302900       1.229500     -0.8654000    
 H    3.396100     -0.2309000      -2.864000    
 H    3.323100      -1.946100      -2.307000    
 H    2.675300      -1.470600      -3.883600    
 H    3.594900       1.826500       3.557200    
 H    2.460000      0.5272000       3.405000    


%chk=000002569-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002569

0 1
O 1.595243 -0.935786 -2.192429
O 0.031153 1.990014 -1.401506
O -2.700494 -1.991435 1.194310
O 2.681460 1.033076 0.866573
O 4.251763 -0.725606 1.045610
N -0.106779 -2.455005 0.522481
N -2.546593 2.455182 -0.648038
N 3.614699 0.583848 2.887934
C 0.680592 -3.475789 -0.203621
C -0.663038 -3.813644 0.468403
C -2.016924 3.822552 -0.711425
C -3.280618 3.497134 0.106221
C -0.622645 -1.225520 0.198946
C -1.979095 1.250402 -0.294049
C 0.124409 -0.211748 -0.413423
C -2.712136 0.254570 0.349323
C -0.536431 1.045507 -0.744935
C -2.078300 -1.025752 0.623564
C 1.575883 -0.462526 -0.780665
C -4.171650 0.424790 0.712924
C 2.534787 0.736086 -0.584187
C 2.884251 -1.510134 -2.608990
C 3.581299 0.205884 1.563825
H 0.714571 -3.379232 -1.295454
H 1.612628 -3.794601 0.275430
H -1.542084 -3.972392 -0.164148
H -0.670940 -4.364320 1.413960
H -1.085196 4.032391 -0.176347
H -2.113556 4.324812 -1.678966
H -4.266616 3.773998 -0.280868
H -3.188729 3.489885 1.199372
H 1.973297 -1.277760 -0.141192
H -4.755928 0.774171 -0.158793
H -4.575571 -0.541195 1.054607
H -4.323348 1.158870 1.527233
H 3.530614 0.487491 -0.988447
H 2.134269 1.656235 -1.024756
H 3.632977 -0.730660 -2.849800
H 3.306099 -2.176367 -1.827259
H 2.669193 -2.089826 -3.521550
H 4.223191 0.078637 3.525145
H 3.035292 1.351861 3.217585


