%chk=000004564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004564

0 1
 O   0.3560000      0.2626000     -0.2651000    
 N   -1.237000      -1.430100      4.8700001E-02
 N   -2.113100       2.129000     -0.2522000    
 N   -3.628700     -0.9751000      0.2047000    
 N   -4.196800       1.380200      4.4999998E-03
 N   -2.790900      -3.153800      0.3633000    
 C    2.708200     -0.1254000     -0.4194000    
 C    2.988200      0.8845000      0.7017000    
 C    3.800900      -1.201700     -0.4706000    
 C    4.381400       1.496400      0.5742000    
 C    5.192800     -0.5864000     -0.5959000    
 C    5.464000      0.4234000      0.5149000    
 C    1.331400     -0.7625000     -0.2401000    
 C  -0.9546000     -0.1192000     -0.1138000    
 C   -2.006200      0.7740000     -0.1185000    
 C   -3.312900      0.3320000      3.9600000E-02
 C   -2.539000      -1.772700      0.1960000    
 C   -3.443700       2.444700     -0.1721000    
 H    2.710600      0.4265000      -1.369700    
 H    2.248100       1.693100      0.6855000    
 H    2.899100      0.3923000       1.678700    
 H    3.760100      -1.819000      0.4360000    
 H    3.625300      -1.872600      -1.319900    
 H    4.569900       2.163100       1.423200    
 H    4.427700       2.112600     -0.3322000    
 H    5.286000     -9.1200002E-02  -1.570300    
 H    5.949600      -1.378300     -0.5667000    
 H    6.441000      0.8933000      0.3559000    
 H    5.513200     -9.8700002E-02   1.478400    
 H    1.288800      -1.302400      0.7147000    
 H    1.147900      -1.470200      -1.058400    
 H   -1.352000       2.781600     -0.3858000    
 H   -3.793700       3.464200     -0.2497000    
 H   -3.742300      -3.474600      0.4785000    
 H   -2.016300      -3.802900      0.3658000    


%chk=000004564-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004564

0 1
O 0.314279 0.228855 -0.245790
N -1.301210 -1.492591 0.068106
N -2.096718 2.163499 -0.287942
N -3.715611 -0.984911 0.185263
N -4.255531 1.429923 -0.048205
N -2.901697 -3.175835 0.371751
C 2.723587 -0.126253 -0.373541
C 3.030098 0.868192 0.775072
C 3.846639 -1.192430 -0.486191
C 4.419141 1.525917 0.601089
C 5.238507 -0.538285 -0.656194
C 5.536190 0.461574 0.486953
C 1.372621 -0.823710 -0.195309
C -0.995158 -0.191420 -0.101837
C -2.024179 0.774973 -0.136672
C -3.377755 0.326916 0.012677
C -2.644565 -1.831941 0.203666
C -3.451043 2.494405 -0.226558
H 2.690853 0.442638 -1.327163
H 2.238129 1.638300 0.823170
H 3.003800 0.318240 1.740298
H 3.848107 -1.816190 0.433029
H 3.640567 -1.873347 -1.336105
H 4.624583 2.207397 1.449173
H 4.415991 2.149975 -0.316933
H 5.273284 -0.002284 -1.627292
H 6.020386 -1.321187 -0.694932
H 6.516650 0.948981 0.322449
H 5.609499 -0.092917 1.445658
H 1.299064 -1.346711 0.777238
H 1.171460 -1.556550 -0.998787
H -1.309241 2.796185 -0.417414
H -3.801455 3.520618 -0.316682
H -3.866266 -3.478215 0.473486
H -2.130007 -3.835111 0.388370


