%chk=000097103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097103

0 1
 S   -1.718900     -0.3569000      -1.553300    
 O    4.223700       1.217300       1.585900    
 N    2.921900      0.5441000     -0.2014000    
 N  -0.2081000      -1.969300      1.6600000E-02
 N    1.118100       1.210500      -1.329100    
 N    2.095500      -1.552200      0.7059000    
 C   -2.913800     -0.2703000     -0.1955000    
 C   -4.295900      0.1696000     -0.6613000    
 C   -2.555400      0.7939000      0.8343000    
 C   -4.983700      0.6160000      0.6262000    
 C   -3.864600       1.029500       1.583800    
 C  -0.2328000     -0.8205000     -0.6751000    
 C   0.8674000      7.4000000E-03 -0.7184000    
 C    1.977900     -0.4243000     -1.1000000E-02
 C    2.358300       1.504700     -0.9988000    
 C    4.262900      0.5631000      0.3308000    
 C   0.9475000      -2.262500      0.6604000    
 H   -2.986400      -1.253300      0.2863000    
 H   -4.849100     -0.6328000      -1.160000    
 H   -4.237000       1.021100      -1.351400    
 H   -2.242600       1.730700      0.3555000    
 H   -1.758600      0.4794000       1.516000    
 H   -5.554600     -0.2132000       1.060000    
 H   -5.685400       1.435400      0.4405000    
 H   -3.961400       2.074500       1.895700    
 H   -3.903700      0.4121000       2.488700    
 H    2.895600       2.392300      -1.304000    
 H    4.620800     -0.4636000      0.4490000    
 H    4.911500       1.111200     -0.3588000    
 H   0.9498000      -3.194800       1.214900    
 H    5.132500       1.225800       1.931500    


%chk=000097103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097103

0 1
S -1.541513 0.773334 -1.101237
O 4.951208 0.295409 1.315080
N 3.472280 0.444862 -0.586311
N -0.184804 -0.625593 0.858745
N 1.705443 1.306659 -1.779818
N 2.240104 -0.804960 1.145830
C -2.924741 0.060041 -0.005181
C -4.265762 0.070779 -0.784752
C -3.197609 0.877070 1.274264
C -5.369700 0.194507 0.322159
C -4.610153 0.379652 1.677011
C -0.072390 0.172186 -0.247875
C 1.224693 0.515777 -0.717991
C 2.315426 -0.021369 0.031116
C 3.045231 1.243267 -1.660531
C 4.831746 0.088594 -0.104119
C 0.944826 -1.067273 1.492285
H -2.597882 -0.959894 0.256940
H -4.379797 -0.834820 -1.404656
H -4.308470 0.940879 -1.466329
H -3.221721 1.957233 1.033337
H -2.428221 0.709415 2.045342
H -6.021411 -0.696431 0.346539
H -6.018533 1.064567 0.116529
H -5.125206 1.081301 2.356396
H -4.528089 -0.589311 2.204853
H 3.748876 1.747904 -2.319757
H 5.021457 -0.968502 -0.381234
H 5.563487 0.747712 -0.595137
H 0.790222 -1.693043 2.375290
H 4.272405 -0.285049 1.767113


