%chk=000005628.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005628

0 1
 S   -2.945400     -0.8371000      -1.398600    
 S    2.937100     -0.7593000       1.480500    
 N  -0.5723000      0.4884000      -1.140400    
 N   0.5622000      0.5031000       1.074600    
 N   -1.970500      -3.944600      0.1413000    
 N    2.015000      -3.970900     -0.1144000    
 C   -3.626800      0.5300000     -0.4747000    
 C    3.607300      0.5817000      0.5059000    
 C  -0.6511000      -1.746200     -0.2641000    
 C   0.7214000      -1.752700      0.2619000    
 C   -1.236700     -0.6960000     -0.9056000    
 C    1.261400     -0.6684000      0.8833000    
 C   -3.524500      0.5488000      0.9147000    
 C    3.559400      0.5178000     -0.8837000    
 C   -4.259300       1.574700      -1.145400    
 C    4.173700       1.682800       1.141700    
 C   -4.056800       1.617000       1.636600    
 C    4.082200       1.563900      -1.643900    
 C   -4.791600       2.643000     -0.4235000    
 C    4.696500       2.728800      0.3815000    
 C   -4.690300       2.664200      0.9675000    
 C    4.650700       2.669500      -1.011400    
 C   -1.381800      -2.961200     -4.1099999E-02
 C    1.440200      -2.977200      5.7399999E-02
 H   -3.042500     -0.2591000       1.459500    
 H    3.130400     -0.3367000      -1.400500    
 H   -4.346900       1.575500      -2.229000    
 H    4.217200       1.746100       2.226000    
 H   -3.979500       1.632800       2.719900    
 H    4.048400       1.516900      -2.728500    
 H   -5.284900       3.458500     -0.9444000    
 H    5.139000       3.589800      0.8738000    
 H   -5.105100       3.495800       1.529600    
 H    5.058100       3.483800      -1.603300    
 H   0.4314000      0.5576000      -1.047700    
 H   -1.070200       1.222300      -1.629400    
 H    1.028000       1.252500       1.572100    
 H  -0.4419000      0.5445000      0.9743000    


%chk=000005628-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005628

0 1
S -3.051516 -0.650140 -1.792611
S 3.029570 -0.711323 1.752140
N -0.472348 -0.391059 -2.539448
N 0.452445 -0.442078 2.503553
N -2.341144 -1.959277 1.707732
N 2.309076 -1.944309 -1.772837
C -3.617002 0.614982 -0.559478
C 3.605248 0.575908 0.546903
C -0.740653 -1.117303 -0.198558
C 0.715260 -1.127007 0.149743
C -1.234196 -0.713450 -1.442791
C 1.212003 -0.751175 1.401380
C -4.713690 0.291326 0.268295
C 4.711798 0.267943 -0.273774
C -3.014958 1.892372 -0.505190
C 3.001251 1.852897 0.506593
C -5.222864 1.268890 1.154901
C 5.228607 1.260655 -1.138888
C -3.517265 2.854940 0.399148
C 3.511524 2.830815 -0.376521
C -4.625997 2.548238 1.224001
C 4.629841 2.539780 -1.194068
C -1.657295 -1.576598 0.795423
C 1.628168 -1.573781 -0.853363
H -5.145189 -0.713764 0.238878
H 5.145689 -0.736408 -0.255710
H -2.166728 2.131081 -1.155608
H 2.145176 2.079630 1.150972
H -6.071928 1.020347 1.800478
H 6.085297 1.024149 -1.778903
H -3.051346 3.845351 0.448715
H 3.044038 3.820985 -0.415191
H -5.018570 3.300307 1.917163
H 5.028252 3.303651 -1.870774
H 0.520736 -0.635830 -2.591114
H -0.931224 -0.025051 -3.371709
H 0.914356 -0.096965 3.343005
H -0.542922 -0.678329 2.550012


