%chk=000171243.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171243

0 1
 S    2.731200     -0.4522000      -2.295100    
 P    2.287000      9.4899997E-02 -0.4625000    
 O   -4.878200      0.8310000      0.5461000    
 O   -3.462900     -0.4055000       1.836000    
 N    3.403000       1.105600      0.2597000    
 N    2.179400      -1.173300      0.6199000    
 N   0.8221000      0.8696000     -0.2623000    
 C  -0.4074000      0.2681000     -0.7782000    
 C    3.051000       1.608200       1.576600    
 C    3.024600       2.503800      0.3726000    
 C    3.411000      -1.899400      0.8759000    
 C    2.308100      -2.507300      5.9599999E-02
 C  -0.8504000     -0.8955000      0.1137000    
 C   -1.503000       1.333100     -0.8733000    
 C   -2.166300      -1.507200     -0.3701000    
 C   -2.816900      0.7387000      -1.382000    
 C   -3.277800     -0.4765000     -0.5755000    
 C   -3.854500     -3.6200002E-02  0.7388000    
 H  -0.2311000     -0.1093000      -1.791800    
 H    3.877700       1.719600       2.267300    
 H    2.123600       1.305900       2.038900    
 H    2.082400       2.866200     -7.0000002E-03
 H    3.837100       3.212200      0.2602000    
 H    3.545600      -2.252400       1.889400    
 H    4.312900      -1.587800      0.3675000    
 H    2.518700      -2.723300     -0.9739000    
 H    1.706600      -3.272400      0.5385000    
 H   0.6176000       1.242000      0.6638000    
 H  -0.9479000     -0.5668000       1.155200    
 H  -0.1298000      -1.709400      9.8700002E-02
 H   -1.188000       2.136800      -1.550600    
 H   -1.671500       1.795900      0.1079000    
 H   -1.980000      -2.008300      -1.329400    
 H   -2.482700      -2.291300      0.3287000    
 H   -3.579500       1.525200      -1.411100    
 H   -2.669500      0.4235000      -2.423600    
 H   -4.097000     -0.9745000      -1.111300    
 H   -5.268900       1.130900       1.394400    


%chk=000171243-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171243

0 1
S 2.502010 -0.793856 -2.128211
P 2.312091 -0.275234 -0.115615
O -5.033336 1.239959 0.508532
O -4.146223 -0.709398 1.388751
N 3.266216 1.197478 0.271588
N 2.976019 -1.331648 1.170864
N 0.673399 -0.175846 0.454068
C -0.520593 -0.112050 -0.413307
C 2.677752 2.269082 1.166427
C 2.837280 2.514045 -0.325743
C 4.378083 -1.869042 0.987600
C 3.186527 -2.796960 0.835829
C -1.431167 -1.345542 -0.189152
C -1.313559 1.202290 -0.198366
C -2.703471 -1.293200 -1.068669
C -2.559599 1.262373 -1.111531
C -3.493286 0.028277 -0.906021
C -4.211565 0.100347 0.436383
H -0.147461 -0.137027 -1.458751
H 3.388200 2.699376 1.878301
H 1.656474 2.115399 1.539823
H 1.926093 2.535374 -0.938001
H 3.660391 3.128220 -0.701767
H 4.974791 -1.879446 1.904099
H 4.913000 -1.585228 0.072826
H 2.933547 -3.121178 -0.182524
H 2.916249 -3.483174 1.643306
H 0.532161 -0.453544 1.430893
H -1.729942 -1.397467 0.876175
H -0.856498 -2.261777 -0.419638
H -0.654199 2.067552 -0.404467
H -1.615946 1.275030 0.866777
H -2.413934 -1.385289 -2.134219
H -3.351425 -2.156058 -0.829466
H -3.126967 2.193949 -0.939990
H -2.235472 1.263104 -2.171198
H -4.291512 0.084263 -1.673199
H -5.497829 1.249446 1.389294


