%chk=000040429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040429

0 1
 N    3.300600      0.4345000      0.2082000    
 C   -1.655700      0.6010000     -0.1945000    
 C   -3.137000     -0.4946000       1.546300    
 C   -4.179200      0.7403000     -0.3874000    
 C   -3.012400      -1.458800     -0.7788000    
 C   -1.812800      0.2510000       1.304300    
 C   -2.852300       1.482600     -0.6241000    
 C   -1.688800     -0.7105000      -1.014600    
 C   -4.308600      0.3988000       1.106200    
 C   -3.147600      -1.789400      0.7169000    
 C   -4.184700     -0.5606000      -1.207200    
 C  -0.3375000       1.342700     -0.4315000    
 C   0.8540000      0.5049000      2.1400001E-02
 C    2.167000       1.237900     -0.2486000    
 C    3.352200     -0.8417000     -0.5188000    
 C    4.555900       1.183400      5.6299999E-02
 C    4.503500      -1.715400     -1.8600000E-02
 C    5.746700      0.3760000      0.5755000    
 C    5.836900     -0.9822000     -0.1109000    
 H   -3.236700     -0.7363000       2.610400    
 H   -5.017500       1.375000     -0.6956000    
 H   -3.023900      -2.384700      -1.364700    
 H   -1.782100       1.162000       1.915300    
 H   -1.010300     -0.4024000       1.660900    
 H   -2.764500       1.750700      -1.684900    
 H   -2.852000       2.424400     -6.0100000E-02
 H  -0.8844000      -1.397100     -0.7336000    
 H   -1.569000     -0.4957000      -2.084100    
 H   -5.260500     -0.1137000       1.292000    
 H   -4.321600       1.320000       1.701600    
 H   -2.326000      -2.444200       1.032500    
 H   -4.079300      -2.340200      0.8955000    
 H   -5.134400      -1.090200      -1.062500    
 H   -4.108600     -0.3299000      -2.276800    
 H  -0.2330000       1.589700      -1.495900    
 H  -0.3409000       2.295600      0.1131000    
 H   0.8107000      0.2786000       1.090300    
 H   0.8366000     -0.4285000     -0.5355000    
 H    2.255100       1.475900      -1.316900    
 H    2.150300       2.190500      0.2961000    
 H    3.452700     -0.6776000      -1.599600    
 H    2.460000      -1.450700     -0.3552000    
 H    4.503200       2.117700      0.6284000    
 H    4.725000       1.453500     -0.9945000    
 H    4.550400      -2.639700     -0.6057000    
 H    4.319200      -2.007300       1.023300    
 H    5.648600      0.2321000       1.659000    
 H    6.674000      0.9359000      0.4102000    
 H    6.629800      -1.583500      0.3471000    
 H    6.105600     -0.8424000      -1.165200    


%chk=000040429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040429

0 1
N 3.435834 0.287176 0.093088
C -1.726734 0.454852 -0.165545
C -3.383576 -0.346363 1.614520
C -4.248779 0.847900 -0.446988
C -3.312465 -1.497882 -0.646294
C -1.966463 0.236389 1.359162
C -2.829922 1.423927 -0.695003
C -1.894789 -0.912881 -0.893898
C -4.457385 0.637718 1.076960
C -3.520627 -1.707774 0.878688
C -4.385210 -0.512660 -1.183009
C -0.335099 1.090489 -0.443535
C 0.903615 0.255519 -0.042918
C 2.212764 1.029278 -0.307184
C 3.756963 -0.830528 -0.831539
C 4.602969 1.193740 0.256863
C 4.956822 -1.654564 -0.320986
C 5.828382 0.434674 0.806436
C 6.193378 -0.751359 -0.113801
H -3.527976 -0.496487 2.703239
H -5.007594 1.558035 -0.832608
H -3.404468 -2.470279 -1.170506
H -1.851462 1.202566 1.893718
H -1.203879 -0.454474 1.770276
H -2.677714 1.596789 -1.780930
H -2.728198 2.408672 -0.192997
H -1.134175 -1.632802 -0.531566
H -1.722917 -0.777251 -1.982307
H -5.472730 0.236740 1.271876
H -4.381734 1.608877 1.607266
H -2.771837 -2.426993 1.268360
H -4.522774 -2.142651 1.068787
H -5.399739 -0.931643 -1.025842
H -4.255821 -0.368254 -2.274917
H -0.270356 1.322884 -1.529004
H -0.292156 2.068048 0.084762
H 0.873603 -0.007599 1.030919
H 0.907589 -0.695578 -0.608113
H 2.251722 1.332766 -1.388007
H 2.186594 1.967531 0.282118
H 3.991807 -0.440041 -1.859839
H 2.870323 -1.482419 -0.924540
H 4.315456 2.004420 0.952824
H 4.882367 1.676447 -0.719446
H 5.179279 -2.464257 -1.042882
H 4.679234 -2.127566 0.640851
H 5.585788 0.055946 1.818252
H 6.681736 1.133622 0.903083
H 7.032902 -1.331946 0.313616
H 6.534152 -0.363354 -1.096461


