%chk=000046481.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046481

0 1
 O  -0.1926000       1.978600      0.2890000    
 O    2.532100      -1.734600      0.7729000    
 O   -1.799400      -2.290100     -0.5966000    
 N   -1.016100     -0.1048000     -0.3440000    
 N   0.3778000      -1.979100      2.3300000E-02
 C    1.416200      0.2247000     -0.1144000    
 C    1.839600      0.3142000      -1.591900    
 C    2.384500       1.062000      0.7360000    
 C   4.8000002E-03  0.7995000     -9.8999999E-03
 C    1.512900      -1.234700      0.2990000    
 C   -2.354600      0.4341000     -0.5545000    
 C    1.803800       1.745100      -2.078900    
 C    2.070600      0.9255000       2.209600    
 C  -0.8801000      -1.506600     -0.3447000    
 C   -3.145200      0.4142000      0.7512000    
 C   -4.554100      0.9521000      0.5538000    
 H    1.179000     -0.2911000      -2.225800    
 H    2.849700     -9.3000002E-02  -1.728100    
 H    2.328700       2.129500      0.4978000    
 H    3.423600      0.7537000      0.5643000    
 H   -2.282100       1.458400     -0.9381000    
 H   -2.867900     -0.1668000      -1.314200    
 H   0.4551000      -2.983500      0.1579000    
 H   0.8124000       2.201000      -2.019400    
 H    2.528300       2.390300      -1.576200    
 H    2.078400       1.759900      -3.140700    
 H    1.044300       1.216500       2.451600    
 H    2.234400     -8.5100003E-02   2.592600    
 H    2.731500       1.585200       2.783500    
 H   -3.205300     -0.6062000       1.147500    
 H   -2.632800       1.015700       1.511400    
 H   -4.532200       1.986100      0.1954000    
 H   -5.106400      0.3473000     -0.1725000    
 H   -5.103400      0.9321000       1.500300    


%chk=000046481-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046481

0 1
O -0.289880 1.984644 -0.052254
O 2.670634 -1.790003 0.442282
O -1.837878 -2.400820 -0.429540
N -1.062652 -0.184270 -0.346369
N 0.420444 -2.027972 -0.024395
C 1.432719 0.247753 -0.171067
C 1.969677 0.395213 -1.663957
C 2.304478 1.076245 0.815735
C -0.018663 0.757600 -0.152585
C 1.576805 -1.248623 0.135474
C -2.458578 0.322399 -0.495449
C 2.056227 1.837450 -2.200290
C 1.910861 0.902591 2.297753
C -0.891055 -1.584327 -0.286859
C -3.181846 0.465404 0.861366
C -4.612814 1.010822 0.672237
H 1.325228 -0.210914 -2.332110
H 2.973120 -0.071410 -1.672819
H 2.211302 2.138829 0.535540
H 3.355700 0.768185 0.669699
H -2.390924 1.302783 -0.995480
H -2.996887 -0.389896 -1.142822
H 0.521384 -3.043080 0.080989
H 1.087775 2.362176 -2.140213
H 2.800135 2.435958 -1.647539
H 2.370270 1.812211 -3.259990
H 0.869618 1.226854 2.478505
H 2.021067 -0.146167 2.627580
H 2.564337 1.520663 2.939001
H -3.218555 -0.522436 1.358001
H -2.600511 1.147693 1.509224
H -4.600580 2.007167 0.192051
H -5.219051 0.334737 0.040860
H -5.126406 1.112641 1.644641


