%chk=000039795.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039795

0 1
 O   -2.284500      0.1249000      0.8911000    
 O    1.788600      -2.538200     -0.8062000    
 O    3.254200      -1.600000      0.6764000    
 O   -2.657900      -2.021300      0.4900000    
 O   -3.596600     -0.5097000     -0.8537000    
 N   -2.906400     -0.8802000      9.8600000E-02
 C    1.346900     -0.3387000     -2.7899999E-02
 C  -0.9899000      0.4891000      0.4341000    
 C   0.9849000       1.988200      0.8860000    
 C   0.3245000       1.449200      -1.489800    
 C  -6.0899999E-02 -0.7379000      0.4531000    
 C    1.906600      0.7553000      0.9034000    
 C    1.250300      0.2201000      -1.461900    
 C  -0.4179000       1.576300       1.361400    
 C   -1.073500       1.038700      -1.000000    
 C   0.8916000       2.529500     -0.5517000    
 C    2.240200      -1.545300     -2.9000000E-03
 H    1.388500       2.762200       1.548200    
 H   0.2607000       1.842400      -2.510500    
 H  -0.4359000      -1.533300     -0.2006000    
 H  -2.3700001E-02  -1.174200       1.460700    
 H    2.917600       1.048600      0.5906000    
 H    1.996000      0.3796000       1.931400    
 H   0.8659000     -0.5393000      -2.155200    
 H    2.247300      0.4942000      -1.831000    
 H  -0.3798000       1.208200       2.394900    
 H   -1.087300       2.446100       1.380800    
 H   -1.762100       1.892400      -1.041500    
 H   -1.464900      0.2971000      -1.704900    
 H   0.2501000       3.419100     -0.5753000    
 H    1.884000       2.842900     -0.8986000    
 H    2.376100      -3.323400     -0.7842000    


%chk=000039795-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039795

0 1
O -2.298216 0.122014 0.989876
O 1.896047 -2.547900 -0.926565
O 3.445314 -1.626551 0.527536
O -4.275339 -1.049376 0.906944
O -2.750088 -1.470101 -0.746361
N -3.178319 -0.897931 0.306318
C 1.414769 -0.325764 -0.075244
C -0.947047 0.437914 0.370535
C 0.979642 1.968191 0.907825
C 0.347139 1.501991 -1.495410
C -0.012058 -0.791956 0.379753
C 1.947349 0.757430 0.901172
C 1.302743 0.279253 -1.516360
C -0.433043 1.508258 1.366000
C -1.071650 1.044694 -1.044218
C 0.888057 2.576485 -0.516582
C 2.364197 -1.519549 -0.092793
H 1.352120 2.729130 1.619384
H 0.278221 1.921816 -2.516933
H -0.380454 -1.574647 -0.301678
H 0.034047 -1.211614 1.402884
H 2.960284 1.073624 0.591161
H 2.045563 0.330541 1.916993
H 0.930323 -0.493215 -2.213593
H 2.306380 0.590482 -1.865684
H -0.393836 1.079414 2.384387
H -1.134978 2.362063 1.385748
H -1.764036 1.907252 -1.016399
H -1.473706 0.300985 -1.752709
H 0.219794 3.459827 -0.513788
H 1.887749 2.921643 -0.845296
H 2.545734 -3.301801 -0.912102


