%chk=000086915.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086915

0 1
 S   -4.276800      0.7684000      0.4899000    
 P    2.630200     -0.3767000      0.4466000    
 O    1.306700      -1.181000     -5.0600000E-02
 O    2.550900     -8.8200003E-02   1.928300    
 N    2.771500      0.9693000     -0.5373000    
 N    3.886700      -1.390300      4.1600000E-02
 C   1.5000000E-02 -0.7417000      6.8200000E-02
 C   -2.343700      -1.085700     -0.2793000    
 C   -1.028100      -1.533000     -0.4009000    
 C   -2.608300      0.1504000      0.3106000    
 C  -0.2416000      0.4914000      0.6574000    
 C    2.711300      0.7976000      -1.989600    
 C    3.816300       1.938700     -0.2041000    
 C   -1.557100      0.9388000      0.7792000    
 C   -3.435500      -1.967000     -0.7962000    
 C   -4.197500       2.309200     -0.4639000    
 H  -0.8061000      -2.493900     -0.8584000    
 H   0.5381000       1.141500       1.035200    
 H    3.619700      0.3227000      -2.374200    
 H    2.574500       1.759000      -2.496700    
 H    1.857900      0.1722000      -2.268500    
 H    4.812600       1.539700     -0.4206000    
 H    3.773500       2.186900      0.8613000    
 H    3.681500       2.876800     -0.7531000    
 H   -1.736500       1.902000       1.250500    
 H    3.925400      -1.710500     -0.9250000    
 H    4.826400      -1.065200      0.2644000    
 H   -4.116400      -2.254200      1.1900000E-02
 H   -3.997200      -1.462200      -1.589100    
 H   -3.041200      -2.894900      -1.225900    
 H   -3.537400       3.033600      2.0000000E-02
 H   -5.199200       2.742900     -0.5257000    
 H   -3.840200       2.111400      -1.478200    


%chk=000086915-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086915

0 1
S -4.371736 0.917346 -0.269381
P 2.796302 -0.086575 0.544800
O 1.333870 -1.082471 0.336801
O 2.665391 1.069683 1.640012
N 3.335364 0.553177 -0.968928
N 3.773263 -1.469186 0.811257
C 0.033050 -0.522995 0.229621
C -2.185991 -0.731603 -0.813041
C -0.848788 -1.164719 -0.668437
C -2.623684 0.385301 -0.037124
C -0.401986 0.574527 1.003710
C 3.551885 -0.317801 -2.136525
C 3.208739 1.998704 -1.233603
C -1.732893 1.023460 0.855160
C -3.124637 -1.436926 -1.773079
C -4.507329 2.372218 0.906951
H -0.480500 -2.015664 -1.251098
H 0.283718 1.064014 1.702076
H 4.474672 -0.006844 -2.662914
H 2.704384 -0.262989 -2.850470
H 3.673487 -1.362335 -1.806237
H 4.142888 2.370976 -1.695961
H 3.048291 2.528835 -0.280548
H 2.362933 2.218054 -1.916906
H -2.059663 1.876002 1.457912
H 3.327235 -2.319639 1.151483
H 4.775278 -1.366665 0.956426
H -4.001238 -1.854988 -1.241487
H -3.519980 -0.737962 -2.535349
H -2.614450 -2.263094 -2.295946
H -4.332710 2.052595 1.946112
H -5.542260 2.732723 0.801692
H -3.807502 3.172840 0.620818


