%chk=000050438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050438

0 1
 O    3.525500      -1.766800     -0.8481000    
 O   0.3365000      0.5114000       1.738500    
 O   -3.500900       1.841500      5.9999999E-02
 O   -4.762300     -0.2020000      0.2607000    
 O    3.743800       2.787100     -0.3272000    
 N    3.575000      0.5197000     -0.6675000    
 N    1.982400       1.657500      0.6251000    
 C    1.532300     -0.6693000     -9.7000003E-03
 C   0.6175000     -0.5504000      -1.241800    
 C    1.209200      -1.970900      0.7384000    
 C    2.968100     -0.7189000     -0.5225000    
 C    1.227500      0.5245000      0.8897000    
 C  -0.8265000     -0.4941000     -0.8415000    
 C    2.115800      -2.149500       1.936900    
 C   -1.421500      0.7406000     -0.5907000    
 C   -1.555500      -1.686600     -0.7262000    
 C    3.133300       1.731500     -0.1502000    
 C   -2.752000      0.7416000     -0.2253000    
 C   -3.472400     -0.4253000     -0.1106000    
 C   -2.901900      -1.657600     -0.3547000    
 C   -4.773700       1.236100      0.3665000    
 H   0.7803000      -1.391900      -1.929800    
 H   0.8640000      0.3444000      -1.830600    
 H    1.315200      -2.842100      7.9899997E-02
 H   0.1892000      -1.985400       1.134000    
 H    3.170000      -2.240000       1.660600    
 H    2.023100      -1.332800       2.658900    
 H    1.847500      -3.072400       2.463600    
 H    4.478100      0.5310000      -1.133500    
 H    1.711000       2.507500       1.111400    
 H  -0.8761000       1.672700     -0.6899000    
 H   -1.090000      -2.646000     -0.9373000    
 H   -3.473500      -2.574400     -0.2658000    
 H   -5.526400       1.633000     -0.3244000    
 H   -5.055300       1.510600       1.389500    


%chk=000050438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050438

0 1
O 3.424316 -1.799949 -1.088028
O 0.538842 0.676112 1.866853
O -3.764507 1.836866 -0.045424
O -5.008134 -0.213181 0.027468
O 4.068709 2.741710 -0.330613
N 3.684418 0.468354 -0.724586
N 2.216000 1.703357 0.652015
C 1.583887 -0.650363 0.072438
C 0.577535 -0.515743 -1.179016
C 1.287033 -1.942503 0.878479
C 2.967385 -0.737347 -0.594348
C 1.400519 0.588319 0.957463
C -0.900508 -0.484462 -0.840900
C 2.259628 -2.189130 2.050962
C -1.549327 0.762442 -0.589750
C -1.651229 -1.688746 -0.807345
C 3.367198 1.715318 -0.154129
C -2.910070 0.732420 -0.292281
C -3.643301 -0.473216 -0.251121
C -3.041346 -1.705442 -0.512542
C -5.062760 1.236519 0.361190
H 0.805085 -1.389159 -1.817310
H 0.858722 0.392162 -1.746597
H 1.331832 -2.792656 0.173547
H 0.254604 -1.865847 1.259623
H 3.301432 -2.300532 1.699749
H 2.215881 -1.369231 2.790255
H 1.987284 -3.121443 2.576796
H 4.557138 0.436005 -1.261920
H 2.024185 2.571469 1.163212
H -1.003107 1.709442 -0.625967
H -1.147577 -2.637475 -1.022610
H -3.614483 -2.635528 -0.496943
H -5.872599 1.706706 -0.216991
H -5.185384 1.349051 1.454772


