%chk=000055873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055873

0 1
 S    3.163100      -1.251800      0.8844000    
 S    4.246900       1.009500       2.458000    
 N  -0.4874000      -1.670000     -0.4411000    
 N   0.3758000      -2.697000       1.306400    
 N    4.552300      0.7777000     -0.2758000    
 C  -0.6679000     -0.6589000      -1.487900    
 C   -1.262800      -2.774000     -0.2756000    
 C   0.4745000      -1.654000      0.5129000    
 C   -1.576500      0.4398000      -1.048800    
 C  -0.7022000      -3.407200      0.8302000    
 C    1.487200     -0.5827000      0.6119000    
 C   -1.052700       1.566900     -0.4152000    
 C   -2.370200      -3.270800     -0.9638000    
 C   -1.894800       2.609700      4.1000000E-03
 C   -2.946500      0.3399000      -1.272100    
 C   -3.288000       2.508100     -0.2231000    
 C   -1.267000      -4.608600       1.290600    
 C   -3.797900       1.366500     -0.8625000    
 C   -2.919800      -4.467400     -0.4918000    
 C   -2.379400      -5.126000      0.6151000    
 C   -1.384600       3.751500      0.6432000    
 C   -4.130000       3.551100      0.1962000    
 C    4.053000      0.2823000      0.9450000    
 C    4.366600      0.1110000      -1.568300    
 C    5.320700       2.022000     -0.3621000    
 C   -2.235900       4.778000       1.053200    
 C   -3.605900       4.677800      0.8302000    
 C    5.517400     -0.8344000      -1.868700    
 C    4.412100       3.211100     -0.6248000    
 H   -1.077600      -1.170600      -2.368100    
 H   0.3077000     -0.2906000      -1.817000    
 H    1.552900      4.8300002E-02 -0.2715000    
 H    1.228300      6.2300000E-02   1.458500    
 H   1.8200001E-02   1.658000     -0.2576000    
 H   -2.788100      -2.776100      -1.831900    
 H   -3.372800     -0.5218000      -1.775600    
 H  -0.8546000      -5.128000       2.149600    
 H   -4.865200       1.268400      -1.050000    
 H   -3.781700      -4.894100     -0.9988000    
 H   -2.827800      -6.054900      0.9579000    
 H  -0.3169000       3.851100      0.8282000    
 H   -5.204200       3.494200      3.2200001E-02
 H    4.298200      0.8712000      -2.355200    
 H    3.423500     -0.4374000      -1.606200    
 H    6.063400       1.934500      -1.163200    
 H    5.886600       2.190200      0.5584000    
 H   -1.828500       5.655600       1.546600    
 H   -4.268000       5.477300       1.149700    
 H    6.472100     -0.3005000      -1.910700    
 H    5.607800      -1.612600      -1.104500    
 H    5.362000      -1.323700      -2.835300    
 H    3.872200       3.098800      -1.570500    
 H    3.666900       3.330400      0.1679000    
 H    5.000800       4.132100     -0.6793000    


%chk=000055873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055873

0 1
S 2.943620 -1.092303 0.380926
S 2.452193 2.017205 0.549301
N -0.506160 -1.589896 -0.385283
N 0.084189 -3.130077 1.211884
N 4.597958 0.802220 -0.625510
C -0.591691 -0.305651 -1.108261
C -1.257555 -2.744221 -0.659153
C 0.281957 -1.878677 0.746818
C -1.613303 0.674944 -0.530107
C -0.877653 -3.695300 0.350133
C 1.279706 -0.936131 1.320556
C -1.250423 2.004794 -0.296560
C -2.197427 -3.050492 -1.667011
C -2.196982 2.960856 0.199779
C -2.960452 0.255537 -0.255548
C -3.555608 2.534828 0.464714
C -1.457903 -4.984806 0.361622
C -3.902194 1.163034 0.227807
C -2.758154 -4.344790 -1.642179
C -2.396779 -5.296833 -0.642035
C -1.836608 4.326913 0.447369
C -4.502719 3.490827 0.959531
C 3.410027 0.683976 0.044187
C 5.420506 -0.355502 -1.079869
C 5.160820 2.147929 -0.935381
C -2.780225 5.237144 0.929988
C -4.124663 4.816505 1.187135
C 6.453842 -0.805203 -0.025312
C 4.669017 2.689998 -2.292390
H -0.842974 -0.545426 -2.159378
H 0.409009 0.160889 -1.116737
H 1.013071 0.135634 1.255902
H 1.496001 -1.213059 2.360845
H -0.217024 2.327562 -0.475676
H -2.484937 -2.328320 -2.438929
H -3.244966 -0.789910 -0.415463
H -1.173486 -5.709591 1.130515
H -4.926914 0.832209 0.435964
H -3.489673 -4.625852 -2.407955
H -2.860515 -6.289105 -0.659797
H -0.805430 4.646290 0.254786
H -5.530613 3.165026 1.159662
H 5.929473 -0.041292 -2.009523
H 4.751680 -1.192396 -1.346911
H 6.262136 2.048453 -0.927357
H 4.864899 2.834293 -0.124187
H -2.495393 6.278498 1.116427
H -4.854318 5.540560 1.566332
H 7.140903 0.018682 0.239263
H 5.949758 -1.149209 0.893287
H 7.057934 -1.640702 -0.423035
H 4.931650 2.008554 -3.122070
H 3.574132 2.821699 -2.274035
H 5.133561 3.671885 -2.495685


