%chk=000005153.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005153

0 1
 O    2.236500     -0.2328000       1.211500    
 O    1.938200       2.462100      -1.134500    
 O    4.506100      0.7998000      -1.381300    
 O    3.724800      -2.599900      0.9613000    
 O   -3.499500      -2.443900     -0.5423000    
 N   0.1005000      0.2513000      0.3085000    
 N   -1.122200       2.318600      0.5268000    
 N   -3.522300       2.042200      0.2267000    
 N   -4.529000     -6.8599999E-02 -0.2345000    
 N   -1.499500      -3.565100     -0.5026000    
 C    1.448500      0.7654000      0.5372000    
 C    2.198600       1.128400     -0.7352000    
 C    3.634400      0.9745000     -0.2827000    
 C    3.564800     -0.2319000      0.6487000    
 C    3.808700      -1.578800     -1.9800000E-02
 C   -1.052700      0.9934000      0.3114000    
 C  -0.2066000      -1.062700      5.5000000E-02
 C   -2.116700      0.1374000      5.4900002E-02
 C   -1.572300      -1.162400     -0.1061000    
 C   -3.386200      0.7124000      1.7400000E-02
 C   -2.256900      -2.392600     -0.3855000    
 C   -2.397300       2.753200      0.4651000    
 H    1.355900       1.622900       1.215100    
 H    1.962400      0.4611000      -1.572400    
 H    3.953600       1.869400      0.2661000    
 H    4.268000     -0.1150000       1.481300    
 H    4.802800      -1.624000     -0.4742000    
 H    3.052000      -1.786400     -0.7830000    
 H   0.5774000      -1.806000      6.3000000E-03
 H    2.530500       2.663900      -1.878900    
 H    5.401200      0.6693000      -1.024500    
 H    3.880000      -3.446000      0.5080000    
 H   -2.540500       3.815800      0.6285000    
 H   -4.481000      -1.060700     -0.3914000    
 H   -5.429300      0.3924000     -0.2517000    
 H  -0.4920000      -3.597800     -0.3946000    
 H   -1.955600      -4.448700     -0.7058000    


%chk=000005153-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005153

0 1
O 2.185190 0.043670 1.281144
O 2.008308 2.156816 -1.685339
O 4.655658 0.569374 -1.430333
O 4.200271 -2.320054 1.595150
O -3.618822 -2.392928 -0.921260
N 0.096836 0.296038 0.117062
N -1.179157 2.264097 0.842826
N -3.609878 1.978200 0.727981
N -4.641122 0.003449 -0.027513
N -1.618558 -3.530685 -0.951302
C 1.417901 0.873221 0.305746
C 2.306290 0.941716 -0.953187
C 3.720835 0.901542 -0.353923
C 3.588507 -0.142309 0.792436
C 3.856631 -1.589430 0.368891
C -1.102101 0.986033 0.378273
C -0.215957 -0.989590 -0.317251
C -2.185595 0.115664 0.070157
C -1.610598 -1.151924 -0.359646
C -3.496303 0.685656 0.253996
C -2.348042 -2.370724 -0.754634
C -2.470542 2.677871 0.996938
H 1.248771 1.888683 0.708685
H 2.171116 0.039737 -1.589037
H 3.950015 1.897551 0.076198
H 4.250193 0.084792 1.647084
H 4.691945 -1.608046 -0.361993
H 2.951561 -2.014135 -0.116295
H 0.580878 -1.695212 -0.544985
H 2.594533 2.192898 -2.483416
H 5.573671 0.838351 -1.178126
H 4.391167 -3.266607 1.377790
H -2.611424 3.693663 1.378650
H -4.560988 -0.955021 -0.413082
H -5.529647 0.476919 0.126991
H -0.626655 -3.603871 -0.740159
H -2.129586 -4.365206 -1.235715


