%chk=000042383.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042383

0 1
 S  -0.8086000      -1.302600      1.4400000E-02
 S   -2.805900      -1.689800      8.1000002E-03
 N  -3.4600001E-02   1.231600     -9.8999999E-03
 N   -2.330700      0.9181000     -4.3000001E-03
 N   -4.609200      0.2583000     -2.4999999E-03
 C    1.226400      0.6272000     -5.1000002E-03
 C    1.853800      0.3136000      -1.210900    
 C    1.856700      0.3373000       1.205000    
 C    3.111200     -0.2901000      -1.206600    
 C    3.114200     -0.2664000       1.209200    
 C    3.741400     -0.5801000      3.4000000E-03
 C   -1.048500      0.4287000     -6.9999998E-04
 C   -3.266000      1.4100000E-02 -1.9999999E-04
 H    1.372600      0.5375000      -2.159600    
 H    1.377900      0.5798000       2.150300    
 H    3.599800     -0.5340000      -2.145500    
 H    3.605200     -0.4918000       2.151400    
 H    4.720500      -1.050000      6.8000001E-03
 H   -4.972600       1.205200     -7.3000002E-03
 H   -5.282900     -0.4998000      8.9999998E-04


%chk=000042383-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042383

0 1
S -1.078616 -1.481658 1.075674
S -3.349660 -1.625686 1.074446
N -0.082922 0.768598 -0.499790
N -2.437702 0.678222 -0.216296
N -4.762032 0.439771 -0.064773
C 1.252614 0.369646 -0.289165
C 2.157553 0.502295 -1.378169
C 1.734610 -0.108249 0.964776
C 3.505455 0.120257 -1.229960
C 3.089708 -0.480453 1.103487
C 3.978693 -0.377514 0.009342
C -1.153651 0.236292 -0.033159
C -3.489823 0.000349 0.177598
H 1.777536 0.896609 -2.325501
H 1.068275 -0.135358 1.835546
H 4.190629 0.214343 -2.079764
H 3.451411 -0.841963 2.072544
H 5.028549 -0.668320 0.122621
H -4.880535 1.302494 -0.594354
H -5.579391 -0.062874 0.271797


