%chk=000114112.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114112

0 1
 S    3.530400       1.068400     -1.1900000E-02
 P    5.188500     -0.2089000     -6.4800002E-02
 O    6.537300      0.6826000      7.1699999E-02
 O    5.237600      -1.080800       1.302500    
 O    5.182000      -1.066200      -1.301300    
 N  -0.3502000     -0.1151000      1.2000001E-03
 N   -7.761700     -0.6282000      2.3100000E-02
 C   -2.793400     -0.3092000       0.000000    
 C   -4.113800      0.4640000     -1.1100000E-02
 C   -1.597100      0.6408000     -5.0000002E-04
 C   -5.315100     -0.4834000      2.6300000E-02
 C   0.7991000      0.7788000      1.1500000E-02
 C   -6.630800      0.2914000     -2.2000000E-02
 C    2.087100     -3.4200002E-02 -2.4800001E-02
 H   -2.749400     -0.9661000     -0.8780000    
 H   -2.753700     -0.9535000      0.8875000    
 H   -4.164700       1.088200     -0.9116000    
 H   -4.153600       1.138600      0.8529000    
 H   -1.647400       1.287300     -0.8852000    
 H   -1.647800       1.281900      0.8880000    
 H   -5.260200      -1.175400     -0.8237000    
 H   -5.271500      -1.090100      0.9397000    
 H  -0.3129000     -0.7180000     -0.8203000    
 H   0.7767000       1.395700      0.9185000    
 H   0.7594000       1.448400     -0.8570000    
 H   -6.690200      0.8871000     -0.9392000    
 H   -6.698400      0.9830000      0.8245000    
 H    2.134000     -0.6511000     -0.9286000    
 H    2.152600     -0.6992000      0.8430000    
 H   -7.701400      -1.283400     -0.7556000    
 H   -7.709100      -1.194300      0.8692000    
 H    7.406500      0.2455000     -5.3800002E-02
 H    5.894800      -1.805300       1.376800    


%chk=000114112-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114112

0 1
S 3.776941 0.519844 1.751269
P 4.612863 -0.290060 -0.192071
O 5.103394 1.011128 -1.242916
O 6.205334 -0.707836 0.293821
O 3.691144 -1.380639 -0.898326
N -0.174468 -0.271171 0.642653
N -7.690460 -0.432894 -0.697010
C -2.621819 -0.360743 0.195522
C -3.879272 0.412889 -0.260465
C -1.345734 0.503366 0.174435
C -5.160621 -0.451902 -0.249957
C 1.102876 0.459204 0.703585
C -6.427892 0.333301 -0.687227
C 2.074496 -0.324891 1.599374
H -2.478454 -1.244198 -0.462535
H -2.766469 -0.750855 1.221686
H -3.717490 0.815305 -1.282685
H -4.027495 1.292992 0.400015
H -1.204175 0.922630 -0.854151
H -1.476557 1.368286 0.855071
H -5.026999 -1.325066 -0.922747
H -5.324179 -0.862056 0.768737
H -0.080229 -1.162607 0.136435
H 0.914690 1.456130 1.144195
H 1.573036 0.627186 -0.297164
H -6.269277 0.744295 -1.703798
H -6.562901 1.206314 -0.018818
H 2.254061 -1.340630 1.208375
H 1.701230 -0.389795 2.634451
H -7.707128 -1.199066 -1.378051
H -7.992429 -0.749169 0.230263
H 4.399368 1.348998 -1.852780
H 6.888212 -0.558990 -0.412189


