%chk=000101472.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101472

0 1
 S  -0.9823000      -1.195500     -2.3000001E-03
 S    2.012900      -1.740600     -2.7999999E-03
 O    5.312900       1.598700      3.0000001E-04
 N    4.368700     -0.5689000     -1.2000001E-03
 N    1.001800      0.6140000      2.4000001E-03
 N    2.373700      0.7961000      3.0000000E-03
 C   -3.309400      0.2861000      5.0000002E-04
 C   -1.823600      0.4169000      1.1000000E-03
 C   -4.004400      0.2222000       1.208200    
 C   -4.004000      0.2273000      -1.207700    
 C   -5.393800      9.9699996E-02   1.207700    
 C   -5.393500      0.1049000      -1.208100    
 C   -6.088500      4.1099999E-02 -3.9999999E-04
 C   0.6989000     -0.6554000     -6.0000003E-04
 C    3.018400     -0.3510000      7.9999998E-04
 C    5.425500      0.3772000     -1.4000000E-03
 C    6.786500     -0.2729000      6.9999998E-04
 H   -1.506500      0.9934000     -0.8764000    
 H   -1.506900      0.9895000      0.8815000    
 H   -3.475600      0.2656000       2.156700    
 H   -3.474900      0.2749000      -2.155900    
 H   -5.935000      4.9600001E-02   2.148000    
 H   -5.934400      5.8899999E-02  -2.148900    
 H   -7.170400     -5.4400001E-02 -7.9999998E-04
 H    4.632200      -1.551500     -1.6000000E-03
 H    6.940900     -0.7926000      0.9502000    
 H    7.561700      0.4882000     -0.1228000    
 H    6.859200     -0.9884000     -0.8232000    


%chk=000101472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101472

0 1
S -1.051678 -1.205837 -0.002133
S 2.010683 -1.929756 -0.008474
O 5.295411 1.597528 -0.031880
N 4.500007 -0.624279 -0.010148
N 1.074242 0.588456 -0.001859
N 2.474817 0.734533 -0.003356
C -3.384009 0.352648 0.003991
C -1.889798 0.540174 0.006823
C -4.100893 0.255335 1.225143
C -4.098178 0.272122 -1.219960
C -5.502918 0.086693 1.223373
C -5.500202 0.103546 -1.223604
C -6.206212 0.010246 -0.001481
C 0.662091 -0.676241 -0.003745
C 3.119558 -0.423729 -0.006791
C 5.523537 0.368445 -0.017052
C 6.922683 -0.247201 0.007422
H -1.508073 1.056461 -0.886284
H -1.510243 1.046279 0.906685
H -3.557325 0.314287 2.175623
H -3.552512 0.344139 -2.168326
H -6.045491 0.017410 2.172530
H -6.040679 0.047389 -2.174823
H -7.294184 -0.118827 -0.003582
H 4.814950 -1.596390 -0.004389
H 7.118025 -0.739570 0.978222
H 7.660110 0.555996 -0.130781
H 7.056382 -0.996757 -0.794141


