%chk=000130147.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130147

0 1
 S    1.384700     -0.3748000      -1.334600    
 O   -6.019600      0.9550000     -0.4829000    
 O   -5.573400     -0.9261000       1.494300    
 O    1.867700       1.015700      -1.696600    
 N   -1.256100      0.5234000      -1.508600    
 N  -0.8901000     -0.9886000      7.8699999E-02
 N    3.906400       1.441500      0.6861000    
 C    2.113500     -0.7886000      0.2769000    
 C    3.605600     -0.9290000      0.1911000    
 C   -2.470500      0.3278000     -0.9025000    
 C  -0.3447000     -0.2846000     -0.8877000    
 C   -2.215800     -0.6201000      8.4700003E-02
 C    4.438800      0.1667000      0.3928000    
 C   -3.731300      0.8817000      -1.126200    
 C   -3.269900      -1.052500      0.9069000    
 C    4.141800      -2.180700     -9.5200002E-02
 C   -4.768900      0.4398000     -0.2988000    
 C   -4.544400     -0.5101000      0.7004000    
 C    5.822100      9.3999999E-03  0.3072000    
 C    4.725600       2.592400      0.9022000    
 C    5.525100      -2.338100     -0.1807000    
 C    6.365200      -1.243000      2.0400001E-02
 C    3.858800       3.807200       1.172300    
 C   -6.349200       2.128400      0.2552000    
 C   -6.321300      -2.052800       1.044600    
 H    1.679600      -1.744700      0.5951000    
 H    1.798700     -5.9000000E-02   1.029300    
 H   -1.070000       1.153600      -2.277400    
 H   -3.897100       1.618300      -1.904800    
 H   -3.097900      -1.790300       1.684700    
 H    3.499600      -3.042300     -0.2563000    
 H    2.903500       1.567400      0.6353000    
 H    6.515200      0.8315000      0.4570000    
 H    5.387600       2.441500       1.762900    
 H    5.343300       2.801500      2.1000000E-02
 H    5.948100      -3.313100     -0.4044000    
 H    7.442200      -1.366200     -4.6200000E-02
 H    3.194600       4.013300      0.3260000    
 H    3.233300       3.655400       2.058600    
 H    4.481200       4.691500       1.341000    
 H   -6.287400       1.938100       1.331400    
 H   -7.376500       2.411000      9.3000000E-03
 H   -5.684500       2.953900     -1.8999999E-02
 H   -7.108000      -2.256200       1.776300    
 H   -5.677800      -2.935200      0.9689000    
 H   -6.789100      -1.844900      7.7100001E-02


%chk=000130147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130147

0 1
S 1.454804 -0.362059 -1.353054
O -5.789808 1.351481 0.451745
O -5.898285 -1.532061 0.574023
O 1.630264 1.344630 -1.401555
N -0.996995 0.777215 -0.759024
N -1.067717 -1.514888 -0.640589
N 4.052417 1.484077 0.040820
C 2.220227 -0.722172 0.568039
C 3.680371 -0.879290 0.603493
C -2.316593 0.460666 -0.409453
C -0.328116 -0.430782 -0.877066
C -2.346794 -0.980156 -0.336303
C 4.559518 0.263449 0.444168
C -3.450823 1.250029 -0.136709
C -3.550760 -1.646048 -0.015275
C 4.240617 -2.156078 0.889550
C -4.637038 0.572028 0.202358
C -4.693203 -0.867605 0.236450
C 5.954663 0.079585 0.713224
C 4.875175 2.696996 -0.075230
C 5.619687 -2.326977 1.102996
C 6.466702 -1.189716 1.030224
C 3.995058 3.900878 -0.454119
C -6.327205 1.242749 1.830017
C -6.969893 -1.400589 -0.441887
H 1.652721 -1.616700 0.864642
H 1.826687 0.205180 1.017021
H -0.519760 1.670702 -0.926066
H -3.450340 2.342820 -0.165234
H -3.612087 -2.736252 0.027472
H 3.562980 -3.014398 0.981367
H 3.119879 1.521878 -0.431531
H 6.638290 0.929671 0.636386
H 5.391404 2.894925 0.886797
H 5.668655 2.559093 -0.843226
H 6.029822 -3.313642 1.338778
H 7.542678 -1.301446 1.209078
H 3.453553 3.709175 -1.398091
H 3.247411 4.105658 0.332791
H 4.616104 4.803870 -0.586972
H -6.568797 0.193601 2.075497
H -7.236298 1.863026 1.837774
H -5.591864 1.642361 2.553971
H -7.834354 -1.941635 -0.027829
H -6.651952 -1.869921 -1.392244
H -7.222311 -0.338230 -0.611423


