%chk=000046268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046268

0 1
 O   -2.041500      -2.374400     -0.4094000    
 N   0.5111000      -2.651500      0.9177000    
 C  -3.7500001E-02  -1.346200      0.5251000    
 C   0.4779000     -0.9393000     -0.8721000    
 C    2.003700     -0.8517000      -1.022900    
 C    2.700100      0.2129000     -0.1678000    
 C   -1.583900      -1.437800      0.5711000    
 C    4.205900      0.3118000     -0.4261000    
 C   -2.287000     -0.1290000      0.2832000    
 C    4.912700       1.312000      0.4924000    
 C   -2.582300      0.7244000       1.332100    
 C   -2.620000      0.1862000      -1.022700    
 C    6.413700       1.395100      0.2633000    
 C   -3.230700       1.930600       1.067000    
 C   -3.268400       1.392400      -1.288000    
 C   -3.573800       2.264500     -0.2431000    
 H   0.2888000     -0.6011000       1.260500    
 H   7.8299999E-02  4.4000000E-02  -1.142500    
 H   0.1108000      -1.647400      -1.626000    
 H    2.457700      -1.830500     -0.8298000    
 H    2.216400     -0.6309000      -2.077400    
 H    2.237400       1.188900     -0.3574000    
 H    2.538800     -1.4500000E-02  0.8924000    
 H   -1.920200      -1.812800       1.546600    
 H    4.375600      0.5965000      -1.471600    
 H    4.658800     -0.6781000     -0.2899000    
 H    4.731400       1.035400       1.537900    
 H    4.476100       2.307400      0.3474000    
 H   0.1461000      -2.913800       1.832700    
 H    1.521200      -2.580600       1.029800    
 H   -1.594900      -3.219800     -0.2320000    
 H   -2.316700      0.4731000       2.354800    
 H   -2.387400     -0.4666000      -1.858600    
 H    6.634700       1.705600     -0.7627000    
 H    6.889300      0.4250000      0.4388000    
 H    6.863100       2.123900      0.9450000    
 H   -3.467700       2.610100       1.880400    
 H   -3.533400       1.653900      -2.308400    
 H   -4.077800       3.204100     -0.4498000    


%chk=000046268-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046268

0 1
O -2.046580 -2.547917 -0.211828
N 0.451319 -2.765996 0.687517
C -0.027899 -1.365898 0.520815
C 0.433341 -0.814216 -0.847683
C 1.967612 -0.725621 -1.044049
C 2.691230 0.193475 -0.032662
C -1.599895 -1.450923 0.637069
C 4.200280 0.347182 -0.327978
C -2.311236 -0.159861 0.268059
C 4.930038 1.269959 0.674844
C -2.241097 0.958146 1.137711
C -3.036875 -0.047887 -0.942118
C 6.439094 1.408489 0.379083
C -2.869194 2.176366 0.794013
C -3.670234 1.168519 -1.284086
C -3.585310 2.286264 -0.421459
H 0.337802 -0.691039 1.325408
H 0.004184 0.197834 -0.967607
H -0.011358 -1.442500 -1.644827
H 2.433931 -1.734793 -1.017404
H 2.158298 -0.347058 -2.069008
H 2.209287 1.193443 -0.044579
H 2.564310 -0.200163 0.996873
H -1.825916 -1.687671 1.704750
H 4.334529 0.745574 -1.355548
H 4.681498 -0.653944 -0.319306
H 4.787691 0.876378 1.702350
H 4.454796 2.272058 0.658279
H 0.449016 -3.103480 1.656646
H 1.340477 -2.965016 0.219451
H -1.275526 -3.197560 -0.140970
H -1.702313 0.876462 2.090971
H -3.104920 -0.927909 -1.588200
H 6.608078 1.826109 -0.631520
H 6.943682 0.424610 0.422837
H 6.935927 2.075518 1.107446
H -2.807940 3.033747 1.474331
H -4.235069 1.242792 -2.220723
H -4.078657 3.228327 -0.686899


