%chk=000096272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096272

0 1
 S   -1.574400     -0.2925000       2.273500    
 P   -1.407800      6.5000001E-03  0.3401000    
 N   -2.686500      0.8231000     -0.3579000    
 N   -1.327200      -1.397600     -0.5620000    
 N  -5.0000001E-02  0.8399000     -0.1596000    
 C   -3.012100       2.114600      0.2222000    
 C   -2.348900       2.013000      -1.120300    
 C   -2.514700      -2.233700     -0.5477000    
 C   -1.271800      -2.639800      0.1889000    
 C    1.279800      0.4055000      0.2636000    
 C    1.693300     -0.8449000     -0.5203000    
 C    2.287800       1.542400      6.2600002E-02
 C    3.111200      -1.284500     -0.1596000    
 C    3.704900       1.099800      0.4233000    
 C    4.116600     -0.1517000     -0.3468000    
 H   -2.419000       2.482100       1.048100    
 H   -4.063400       2.366700      0.2503000    
 H   -2.963200       2.186700      -1.996300    
 H   -1.375700       2.475100      -1.180900    
 H   -2.742900      -2.741200      -1.475200    
 H   -3.370100      -1.910900      2.9400000E-02
 H   -1.334100      -2.714500       1.261100    
 H  -0.6717000      -3.426000     -0.2564000    
 H    1.266700      0.1671000       1.333100    
 H   5.0000002E-04   1.008700      -1.164900    
 H    1.633800     -0.6634000      -1.601100    
 H    1.057300      -1.695800     -0.2916000    
 H    2.010500       2.406300      0.6790000    
 H    2.275100       1.880300     -0.9822000    
 H    3.401500      -2.140400     -0.7794000    
 H    3.134700      -1.623200      0.8838000    
 H    3.761900      0.9009000       1.500600    
 H    4.409600       1.911600      0.2109000    
 H    5.107900     -0.4798000     -1.4700000E-02
 H    4.200000      8.8299997E-02  -1.414000    


%chk=000096272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096272

0 1
S -1.250862 -0.951694 2.205285
P -1.431542 -0.375552 0.208257
N -2.589366 0.986435 0.021965
N -2.167567 -1.481207 -0.997659
N 0.074020 -0.073502 -0.604427
C -2.203106 2.339144 0.566836
C -2.277824 2.118318 -0.935560
C -3.474715 -2.151356 -0.636622
C -2.192162 -2.962339 -0.666684
C 1.381475 0.095914 0.066862
C 2.317311 -1.105297 -0.222886
C 2.054614 1.432123 -0.337048
C 3.691826 -0.931625 0.467087
C 3.426621 1.603967 0.359476
C 4.360705 0.405331 0.067120
H -1.206659 2.453848 1.013508
H -3.008225 2.860950 1.091756
H -3.141355 2.472934 -1.506004
H -1.325283 2.076200 -1.480114
H -4.187800 -2.211933 -1.463798
H -3.904315 -1.926618 0.347280
H -1.772614 -3.266340 0.301748
H -1.972123 -3.614741 -1.516436
H 1.175688 0.113503 1.156889
H 0.088158 -0.333771 -1.596375
H 2.465184 -1.188690 -1.321587
H 1.824062 -2.035583 0.116556
H 1.378575 2.272490 -0.085191
H 2.194546 1.446371 -1.438656
H 4.350921 -1.784041 0.213033
H 3.550278 -0.953910 1.567090
H 3.271094 1.684740 1.455201
H 3.899374 2.550309 0.032931
H 5.319823 0.528776 0.606193
H 4.600843 0.385549 -1.016422


