%chk=000019715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019715

1 1
 O   -2.674000      -2.086600      8.5100003E-02
 N    3.912100     -0.1462000     -0.1015000    
 N   -2.342600      0.2454000      6.1799999E-02
 C    2.416900     -0.4038000     -0.2202000    
 C    4.270000      0.1022000       1.356800    
 C    4.677700      -1.358300     -0.6124000    
 C    4.284000       1.075000     -0.9300000    
 C    1.634700      0.7707000      0.3499000    
 C   -4.513600      0.8857000     -0.4867000    
 C   -3.198800       1.410300      5.5000000E-02
 C   -4.550600     -0.5547000      1.9999999E-04
 C   -3.090800     -0.9381000      3.8500000E-02
 C   0.1811000      0.5771000      0.2446000    
 C   -1.006300      0.4213000      0.1590000    
 H    2.187600     -0.5659000      -1.280800    
 H    2.193800      -1.329900      0.3244000    
 H    3.833900     -0.6939000       1.967400    
 H    5.361300      8.1600003E-02   1.443900    
 H    3.917000       1.087900       1.669900    
 H    4.402800      -1.524200      -1.658200    
 H    5.749800      -1.157000     -0.5277000    
 H    4.403300      -2.223200     -1.2000001E-03
 H    3.877300      0.9533000      -1.938200    
 H    3.905600       1.983500     -0.4560000    
 H    5.376600       1.132900     -0.9736000    
 H    1.850200      0.9228000       1.411800    
 H    1.868000       1.705100     -0.1687000    
 H   -4.496300      0.9008000      -1.583800    
 H   -5.375100       1.471700     -0.1548000    
 H   -2.786400       2.206200     -0.5737000    
 H   -3.306300       1.768600       1.085200    
 H   -5.109200      -1.201200     -0.6807000    
 H   -4.961200     -0.6275000       1.012100    


%chk=000019715-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019715

1 1
O -1.628963 -1.651051 -0.203077
N 3.764817 -0.190282 -0.056186
N -2.225049 0.629885 0.033446
C 2.227395 0.024189 -0.123329
C 4.258211 -0.124709 1.387571
C 4.059861 -1.583639 -0.617854
C 4.495112 0.852014 -0.898783
C 1.713740 1.408650 0.353052
C -4.556939 0.533919 -0.434535
C -3.456218 1.470299 0.136107
C -4.032285 -0.899013 -0.167003
C -2.511135 -0.763111 -0.130838
C 0.247620 1.318657 0.275516
C -0.955483 1.072792 0.169141
H 1.934121 -0.139776 -1.174090
H 1.771738 -0.772818 0.488436
H 3.699003 -0.856135 1.990623
H 5.332446 -0.364440 1.408564
H 4.099105 0.887121 1.785782
H 3.726079 -1.627043 -1.665633
H 5.142429 -1.775292 -0.560797
H 3.513958 -2.332927 -0.024805
H 4.086976 0.837115 -1.920902
H 4.355377 1.847700 -0.454880
H 5.567924 0.605629 -0.920217
H 2.037707 1.624793 1.389901
H 2.091119 2.222579 -0.295129
H -4.661355 0.700105 -1.520233
H -5.533880 0.726671 0.035571
H -3.335949 2.398604 -0.445715
H -3.638240 1.735233 1.194386
H -4.330282 -1.634912 -0.930232
H -4.366460 -1.289206 0.813542


