%chk=000039049.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039049

0 1
 O   0.8616000      -3.150800       1.576600    
 N    2.004300      -2.027400     -0.1091000    
 C    1.015700      6.1200000E-02  -1.052700    
 C    1.925600      -1.164600      -1.296100    
 C  -0.2766000     -0.3564000     -0.3854000    
 C  -0.3346000      -1.501900      0.4227000    
 C   -3.861600      0.8650000     -0.1601000    
 C   -2.635400      4.0800001E-02  4.2700000E-02
 C    1.744600       1.184200     -0.3224000    
 C   -1.436900      0.4127000     -0.5650000    
 C   0.8862000      -2.310500      0.6799000    
 C    1.456200      -1.979000      -2.510900    
 C   -1.540200      -1.869800       1.034100    
 C   -2.687000      -1.100000      0.8394000    
 C    3.264900      -2.716700      0.1316000    
 C   -4.405300       1.413400       1.195600    
 C   -5.002100      2.9899999E-02 -0.8208000    
 C   -3.682300       2.121500      -1.075500    
 C    1.729700       1.224600       1.067400    
 C    2.417900       2.157100      -1.052700    
 C    2.396500       2.251600       1.735500    
 C    3.084700       3.183900     -0.3844000    
 C    3.074000       3.231100       1.009700    
 H   0.7416000      0.4620000      -2.040400    
 H    2.942400     -0.8129000      -1.517300    
 H   -1.356500       1.295200      -1.191500    
 H    2.136800      -2.815300      -2.703800    
 H   0.4571000      -2.401300      -2.361500    
 H    1.432400      -1.355700      -3.411000    
 H   -1.606700      -2.751300       1.666100    
 H   -3.606900      -1.411900       1.325700    
 H    3.469000      -3.388000     -0.7068000    
 H    3.230300      -3.301600       1.054200    
 H    4.063900      -1.974200      0.2129000    
 H   -3.644500       2.017400       1.704100    
 H   -4.695700      0.6060000       1.876800    
 H   -5.289800       2.043100       1.045100    
 H   -5.308400     -0.8137000     -0.1925000    
 H   -5.894200      0.6423000     -0.9967000    
 H   -4.677500     -0.3771000      -1.785700    
 H   -3.367000       1.840400      -2.087100    
 H   -2.945700       2.819500     -0.6605000    
 H   -4.624700       2.673800      -1.176300    
 H    1.226000      0.4764000       1.669400    
 H    2.435600       2.129300      -2.138600    
 H    2.391000       2.287100       2.821100    
 H    3.613200       3.946200     -0.9494000    
 H    3.594100       4.030200       1.529900    


%chk=000039049-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039049

0 1
O 0.978198 -3.077001 1.656002
N 2.022496 -1.956010 -0.110715
C 1.011778 0.122051 -1.085960
C 1.900386 -1.137059 -1.345855
C -0.298423 -0.300070 -0.430432
C -0.315054 -1.436673 0.416930
C -4.016467 0.875486 -0.202952
C -2.705659 0.079869 -0.001612
C 1.779804 1.194725 -0.297069
C -1.486935 0.440597 -0.626074
C 0.927602 -2.229049 0.703350
C 1.375849 -1.987279 -2.529752
C -1.523800 -1.810436 1.053456
C -2.697606 -1.067454 0.844208
C 3.297435 -2.647758 0.128524
C -4.513595 1.401538 1.177977
C -5.099159 -0.063323 -0.816759
C -3.834821 2.091378 -1.147792
C 1.797857 1.228333 1.120270
C 2.540941 2.158934 -1.008270
C 2.565361 2.196386 1.806648
C 3.307413 3.129174 -0.325262
C 3.324199 3.149080 1.088704
H 0.786451 0.549099 -2.083359
H 2.921457 -0.785156 -1.587573
H -1.444968 1.319985 -1.276930
H 1.994821 -2.892484 -2.662824
H 0.333428 -2.306428 -2.355355
H 1.411225 -1.408052 -3.470894
H -1.506365 -2.682889 1.714669
H -3.620296 -1.379617 1.346388
H 3.571493 -3.293412 -0.728675
H 3.180865 -3.276461 1.024919
H 4.107834 -1.913263 0.293871
H -3.763798 2.071698 1.636642
H -4.706798 0.575271 1.885019
H -5.455183 1.968387 1.051698
H -5.302288 -0.933264 -0.167126
H -6.048204 0.488652 -0.952402
H -4.776125 -0.445183 -1.802636
H -3.510496 1.781164 -2.158553
H -3.097179 2.812950 -0.750579
H -4.798274 2.622760 -1.254944
H 1.203787 0.506241 1.689899
H 2.528018 2.152894 -2.106293
H 2.568780 2.207404 2.902500
H 3.884135 3.869105 -0.891980
H 3.915578 3.900962 1.623253


