%chk=000127161.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127161

0 1
 S   0.5469000       2.488600     -0.4663000    
 O   -1.548100      -2.444800     -0.2704000    
 N  -0.8272000     -0.2109000      4.3800000E-02
 N   -2.864600      0.7181000      8.2199998E-02
 N   -2.992500     -0.6239000     -9.4800003E-02
 C   0.5834000     -0.2651000      5.1100001E-02
 C   -1.579700      0.9085000      0.1574000    
 C  -0.9765000       2.238800      0.4581000    
 C    1.330400      0.9140000     -0.1375000    
 C   -1.734800      -1.247200     -0.1141000    
 C    1.269200      -1.477000      0.2180000    
 C    2.731800      0.8637000     -0.1572000    
 C    2.665600      -1.515400      0.2084000    
 C    3.396100     -0.3473000      2.1400001E-02
 H   -1.687200       3.033400      0.2125000    
 H  -0.7649000       2.290000       1.531200    
 H   0.7455000      -2.412900      0.3825000    
 H    3.321400       1.763700     -0.3171000    
 H   -3.906500      -1.048300     -0.1890000    
 H    3.181500      -2.461200      0.3477000    
 H    4.481400     -0.3797000      8.9999996E-03


%chk=000127161-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127161

0 1
S 0.517285 2.525055 -0.588985
O -1.491994 -2.521523 -0.366918
N -0.843234 -0.206331 0.062499
N -2.921924 0.729359 0.094105
N -2.988949 -0.656799 -0.152087
C 0.585273 -0.261016 0.062948
C -1.611209 0.959796 0.223834
C -0.990334 2.273475 0.541598
C 1.334890 0.924011 -0.193935
C -1.748703 -1.305594 -0.178785
C 1.257944 -1.486065 0.295463
C 2.745719 0.866851 -0.211676
C 2.666322 -1.530982 0.258180
C 3.413434 -0.358510 0.004768
H -1.695937 3.091674 0.340504
H -0.636348 2.327269 1.584381
H 0.669008 -2.389344 0.470921
H 3.316197 1.783359 -0.394319
H -3.891172 -1.104247 -0.288447
H 3.177459 -2.483650 0.430274
H 4.507473 -0.391687 -0.017425


