%chk=000045290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045290

0 1
 O  -0.5256000      -1.334300       1.909400    
 O  -0.6721000      0.9266000       2.330100    
 N    3.180200       1.145100     -7.8800000E-02
 C   -1.762400      0.8276000     -0.5174000    
 C  -0.4901000      0.1645000      7.0000002E-03
 C   -1.813600       2.304700     -0.1042000    
 C   -3.007200      7.8599997E-02 -2.3100000E-02
 C   0.7596000      0.9614000     -0.3637000    
 C   -3.102800       2.976500     -0.5715000    
 C   -4.294300      0.7540000     -0.4907000    
 C  -0.3893000      -1.256200     -0.4086000    
 C   -4.337700       2.224100     -8.5800000E-02
 C  -0.5745000      6.2000002E-03   1.529500    
 C    2.005200      0.3571000      0.2738000    
 C  -0.4159000      -2.045200      0.7274000    
 C  -0.2826000      -1.829300      -1.664400    
 C  -0.3382000      -3.424300      0.6658000    
 C  -0.2027000      -3.221600      -1.752900    
 C    3.365600       1.172500      -1.530800    
 C    4.375500      0.6098000      0.5754000    
 C  -0.2305000      -4.014400     -0.5943000    
 C    4.548300       2.044800      -1.916800    
 C    4.204900      0.5721000       2.084600    
 H   -1.762800      0.7899000      -1.616600    
 H  -0.9999000       2.875800     -0.5611000    
 H   -1.746300       2.442700      0.9771000    
 H   -3.041500      3.0800000E-02   1.071600    
 H   -3.022700     -0.9536000     -0.3901000    
 H   0.7074000       1.995300     -8.1000002E-03
 H   0.8059000      0.9826000      -1.456000    
 H   -3.134500       4.010100     -0.2085000    
 H   -3.113500       3.023800      -1.667600    
 H   -4.372600      0.6736000      -1.582000    
 H   -5.160300      0.2305000     -6.9700003E-02
 H   -4.404500       2.299800       1.006500    
 H   -5.239800       2.692900     -0.4944000    
 H    2.151300     -0.6861000     -3.0400001E-02
 H    1.862600      0.3736000       1.356400    
 H  -0.2602000      -1.219800      -2.561200    
 H  -0.3599000      -4.032500       1.563100    
 H  -0.1181000      -3.696300      -2.726700    
 H    3.489700      0.1664000      -1.950300    
 H    2.519100       1.641900      -2.036700    
 H    4.630500     -0.3925000      0.2086000    
 H    5.237700       1.259000      0.3918000    
 H  -0.1672000      -5.095600     -0.6813000    
 H    4.518000       3.017200      -1.413200    
 H    5.508900       1.564500      -1.706600    
 H    4.527100       2.236300      -2.995800    
 H    5.181300      0.4164000       2.557800    
 H    3.568600     -0.2550000       2.414900    
 H    3.803200       1.513600       2.474600    


%chk=000045290-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045290

0 1
O -0.626683 -1.730118 1.805912
O -0.603973 0.450081 2.639148
N 3.327705 0.926936 -0.132785
C -1.769473 0.856205 -0.325232
C -0.475104 0.064789 0.143074
C -1.877073 2.294909 0.245717
C -3.069738 0.061518 -0.022150
C 0.828669 0.887814 -0.113274
C -3.140800 3.018889 -0.283377
C -4.324415 0.787591 -0.560482
C -0.424561 -1.315545 -0.498053
C -4.430329 2.219410 0.011071
C -0.575879 -0.288361 1.648034
C 2.129397 0.179605 0.330027
C -0.529057 -2.302142 0.504754
C -0.316346 -1.714396 -1.841301
C -0.532199 -3.677284 0.244544
C -0.314250 -3.100496 -2.145136
C 3.736409 0.534902 -1.509024
C 4.450256 0.904422 0.843656
C -0.421700 -4.067068 -1.114790
C 4.527303 1.633749 -2.244239
C 4.207878 1.832362 2.048895
H -1.670644 0.937598 -1.431546
H -0.985389 2.889233 -0.025787
H -1.908686 2.248301 1.351525
H -3.173090 -0.058977 1.076615
H -3.009332 -0.953932 -0.456459
H 0.772321 1.850543 0.421330
H 0.875709 1.117042 -1.196418
H -3.201415 4.028392 0.167233
H -3.048053 3.163971 -1.380545
H -4.272980 0.838331 -1.668377
H -5.230363 0.202644 -0.309753
H -4.585856 2.164396 1.108122
H -5.310311 2.740310 -0.413637
H 2.141662 -0.874766 -0.036274
H 2.146253 0.131341 1.434342
H -0.234193 -0.971970 -2.643512
H -0.615393 -4.409219 1.052544
H -0.229325 -3.428370 -3.186663
H 4.326288 -0.417481 -1.503103
H 2.814536 0.321046 -2.083089
H 4.660414 -0.135624 1.201148
H 5.361097 1.243544 0.317539
H -0.419745 -5.132747 -1.367973
H 3.931360 2.561649 -2.295129
H 5.479058 1.869582 -1.734830
H 4.772052 1.310178 -3.273394
H 5.069566 1.800582 2.741879
H 3.308611 1.540739 2.621380
H 4.067112 2.871493 1.703942


