%chk=000056659.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056659

0 1
 S  -0.7402000      0.4684000     -1.6600000E-02
 O   -5.022500       1.153500     -1.0700000E-02
 N   -3.641800      0.9238000      1.2000001E-03
 C    1.883600     -0.2543000      1.9000000E-03
 C   0.5119000     -0.7005000      4.1000000E-03
 C   -1.948400     -0.7450000     -2.7999999E-03
 C   1.6300000E-02  -1.986500      2.1000000E-02
 C    2.550600     -5.5799998E-02  -1.207100    
 C    2.543300     -2.1500001E-02   1.208700    
 C    4.537000      0.6077000     -2.4000001E-03
 C   -1.408300      -2.012200      1.6899999E-02
 C    3.877400      0.3751000      -1.209200    
 C    3.869900      0.4096000       1.206500    
 C   -3.321800     -0.3579000     -1.2500000E-02
 C    5.955400       1.068400     -4.4999998E-03
 C   -4.425800      -1.429300     -5.0000002E-04
 C   -5.236600       2.556500      5.9000002E-03
 H   0.6405000      -2.871500      3.6899999E-02
 H    2.051400     -0.2329000      -2.156800    
 H    2.038400     -0.1715000       2.160100    
 H   -1.981700      -2.929300      3.4200002E-02
 H    4.385700      0.5276000      -2.157600    
 H    4.372700      0.5891000       2.153200    
 H    6.489000      0.7088000      0.8818000    
 H    6.493600      0.6868000     -0.8788000    
 H    5.994900       2.162100     -1.8200001E-02
 H   -4.062500      -2.398100     -0.3465000    
 H   -4.803600      -1.532300       1.020800    
 H   -5.248200      -1.140000     -0.6609000    
 H   -4.792200       3.019800     -0.8805000    
 H   -4.811700       2.995700      0.9139000    
 H   -6.313700       2.742800     -3.3000000E-03


%chk=000056659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056659

0 1
S -0.797017 0.601262 -0.006383
O -5.209413 1.129156 0.031991
N -3.764657 0.920480 0.015642
C 1.949112 -0.223719 0.006483
C 0.526069 -0.645847 0.010713
C -2.053402 -0.710068 0.002807
C -0.009948 -1.927858 0.024430
C 2.646798 -0.030212 -1.215184
C 2.648427 -0.009149 1.223678
C 4.706556 0.572798 -0.002324
C -1.447274 -1.967251 0.019805
C 4.003891 0.357464 -1.215941
C 4.005563 0.378411 1.215789
C -3.474877 -0.377247 -0.000090
C 6.156678 1.024134 -0.007269
C -4.520144 -1.474037 -0.007769
C -5.450295 2.579962 -0.005728
H 0.619419 -2.820818 0.036773
H 2.120141 -0.191232 -2.162263
H 2.123048 -0.153567 2.174140
H -2.014650 -2.900630 0.035522
H 4.524845 0.495085 -2.171391
H 4.527839 0.532638 2.167978
H 6.695851 0.668017 0.888135
H 6.693400 0.655967 -0.899254
H 6.227066 2.129383 -0.014786
H -4.107995 -2.424788 -0.378418
H -4.915762 -1.634278 1.012546
H -5.372627 -1.174143 -0.639601
H -5.036634 3.021133 -0.929860
H -5.000153 3.071786 0.874569
H -6.547256 2.684267 0.013460


