%chk=000129479.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129479

0 1
 S    2.625500     -0.8020000     -0.7039000    
 O   -1.216800       1.749900     -0.8609000    
 O    5.965600      0.6182000      -1.373100    
 O    4.925700       1.949500      0.1408000    
 N   -1.464200      -1.239300     -0.5360000    
 N   -3.313600      -2.217700      0.2523000    
 N   -4.539900     -0.1471000      0.5672000    
 N   -3.367200       1.881200     -4.1200001E-02
 N    5.747000     -0.2863000       1.870600    
 N   -5.554000       1.905300      0.8015000    
 C  -0.1254000      -1.120100      -1.061500    
 C   -2.345300     -0.2296000     -0.2733000    
 C   0.9592000     -0.9689000      4.9999999E-03
 C   -3.462400     -0.8643000      0.2064000    
 C   -2.092300      -2.414800     -0.2038000    
 C    3.551300     -0.6552000      0.8409000    
 C    5.043100     -0.4232000      0.5940000    
 C   -2.220400       1.193700     -0.4304000    
 C   -4.419500       1.233100      0.4146000    
 C    5.303600      0.8375000     -0.2091000    
 H   6.0100000E-02  -2.023800      -1.656800    
 H  -0.1119000     -0.2817000      -1.766000    
 H   0.7509000     -8.4200002E-02  0.6169000    
 H   0.9463000      -1.840500      0.6690000    
 H   -1.611200      -3.377300     -0.3141000    
 H    3.408400      -1.571900       1.424200    
 H    3.128000      0.1792000       1.412400    
 H    5.468800      -1.282200      6.1799999E-02
 H   -5.395000     -0.5566000      0.9283000    
 H    5.389000      0.5186000       2.383500    
 H    6.736900     -0.1102000       1.704200    
 H   -6.367700       1.412600       1.152800    
 H   -5.609100       2.916400      0.7448000    
 H    6.104800       1.448400      -1.876900    


%chk=000129479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129479

0 1
S 2.755302 -2.320445 0.760059
O -0.035532 0.837469 1.243070
O 5.279488 0.130193 -1.392225
O 2.997713 0.558268 -1.379453
N -0.923827 -1.264048 -0.918623
N -3.119315 -1.446193 -1.551976
N -3.959186 0.371113 -0.076088
N -2.301059 1.489400 1.290414
N 4.366573 1.473030 1.378884
N -4.538687 2.148295 1.382079
C 0.532512 -1.523904 -0.824962
C -1.634861 -0.301424 -0.178895
C 0.887294 -2.269804 0.477773
C -2.966260 -0.449939 -0.604201
C -1.850913 -1.918687 -1.713420
C 2.994427 -0.554632 1.430862
C 4.202367 0.135736 0.778427
C -1.227949 0.691025 0.818239
C -3.555814 1.326699 0.865798
C 4.038160 0.261911 -0.747636
H 0.832053 -2.116345 -1.707074
H 1.063412 -0.559019 -0.867607
H 0.438916 -1.763025 1.346851
H 0.555485 -3.321563 0.457384
H -1.576228 -2.717944 -2.397387
H 3.167075 -0.616892 2.516005
H 2.060133 0.003240 1.241412
H 5.122430 -0.443213 0.966590
H -4.925507 0.257610 -0.386800
H 3.549295 2.083697 1.283754
H 5.257664 1.936183 1.185270
H -5.516221 2.098099 1.109491
H -4.234640 2.836785 2.066208
H 5.164001 0.295023 -2.368024


