%chk=000003932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003932

0 1
 O  -0.1077000     -0.5283000       2.295400    
 N   3.4699999E-02 -0.7110000     -7.3600002E-02
 N   -4.819800     -0.1495000      3.2900002E-02
 N    4.762100      0.2820000      0.2623000    
 C  -0.1096000       1.467000      0.8819000    
 C  -3.7999999E-02   1.510900     -0.6219000    
 C   -1.415700       2.060700       1.411000    
 C    1.108000       2.132900       1.524600    
 C  -8.0899999E-02 -4.8400000E-02   1.169700    
 C   3.2299999E-02  0.2139000      -1.141600    
 C  -6.7900002E-02   2.623900      -1.451800    
 C   -2.609900       1.285900      0.9282000    
 C    2.389800       1.484300       1.082200    
 C   8.7000001E-03  1.2500000E-02  -2.515000    
 C   0.1469000      -2.118300     -0.2241000    
 C  -4.9800001E-02   2.425500      -2.831100    
 C  -2.0600000E-02   1.128400      -3.358300    
 C   -3.223400       1.642100     -0.2607000    
 C    2.905300      0.4214000       1.804000    
 C   -3.085600      0.2222000       1.675800    
 C    3.043600       1.954600     -4.3800000E-02
 C   0.8590000      -2.658400      -1.300400    
 C  -0.4543000      -2.977400      0.7021000    
 C   -4.319700      0.8962000     -0.6628000    
 C    4.088500     -0.1425000       1.354800    
 C   -4.188200     -0.4600000       1.187100    
 C    4.220700       1.322200     -0.4103000    
 C   0.9688000      -4.040900      -1.448700    
 C  -0.3445000      -4.360000      0.5537000    
 C   0.3671000      -4.891900     -0.5215000    
 H   -1.517700       3.115400       1.122100    
 H   -1.417400       2.059800       2.510000    
 H    1.041900       2.078700       2.620000    
 H    1.139200       3.205100       1.287700    
 H  -0.1169000       3.627900      -1.043800    
 H  -4.4300001E-02 -0.9633000      -2.979500    
 H  -7.8199998E-02   3.279800      -3.501600    
 H  -3.9600000E-02  0.9876000      -4.435800    
 H   -2.891500       2.482600     -0.8581000    
 H    2.430000      4.2500000E-02   2.701200    
 H   -2.644200     -6.7900002E-02   2.622000    
 H    2.681500       2.799500     -0.6172000    
 H    1.433400      -2.048200      -1.988900    
 H   -1.046700      -2.605100       1.532000    
 H   -4.844200       1.131700      -1.583000    
 H    4.542300     -0.9750000       1.882300    
 H   -4.608600      -1.298700       1.732200    
 H    4.779800       1.650600      -1.280300    
 H    1.542500      -4.455600      -2.272400    
 H  -0.8189000      -5.023000       1.271400    
 H   0.4558000      -5.968300     -0.6349000    


%chk=000003932-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003932

0 1
O -0.124953 -0.690902 2.287940
N 0.020618 -0.825144 -0.086678
N -5.206429 0.271244 0.110827
N 4.975339 0.513938 0.079264
C -0.129029 1.372891 0.866852
C -0.093072 1.431216 -0.651233
C -1.417906 1.998944 1.506739
C 1.126640 2.040265 1.542471
C -0.090642 -0.153446 1.149664
C 0.003047 0.113747 -1.168639
C -0.148541 2.525021 -1.527252
C -2.728745 1.402658 1.019599
C 2.464369 1.519210 1.042173
C 0.025816 -0.140904 -2.552239
C 0.187854 -2.247972 -0.219052
C -0.112318 2.293502 -2.926677
C -0.031237 0.972279 -3.426602
C -3.421353 1.936400 -0.096380
C 3.059476 0.358965 1.601629
C -3.314646 0.285820 1.670239
C 3.165593 2.162599 -0.008454
C 1.243347 -2.764811 -1.010477
C -0.684208 -3.123978 0.469642
C -4.636914 1.347258 -0.510387
C 4.295884 -0.100203 1.095241
C -4.535440 -0.237591 1.188371
C 4.398546 1.633977 -0.451626
C 1.410828 -4.161617 -1.124551
C -0.501380 -4.518977 0.357815
C 0.540037 -5.043252 -0.442578
H -1.396344 3.087019 1.304419
H -1.330872 1.858059 2.600686
H 1.036061 1.862327 2.630807
H 1.054644 3.131036 1.369312
H -0.221199 3.549092 -1.141355
H 0.072440 -1.159892 -2.945968
H -0.153063 3.137856 -3.622794
H -0.015797 0.802055 -4.508707
H -3.023937 2.800539 -0.639109
H 2.568376 -0.181076 2.418444
H -2.828340 -0.165481 2.542069
H 2.759819 3.064113 -0.480222
H 1.940365 -2.081636 -1.507102
H -1.487166 -2.713025 1.087386
H -5.187340 1.745823 -1.370315
H 4.772913 -0.993534 1.513942
H -5.008801 -1.095150 1.680329
H 4.956259 2.117927 -1.261654
H 2.229352 -4.558582 -1.734683
H -1.175572 -5.195826 0.893543
H 0.675720 -6.126684 -0.529172


