%chk=000103230.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103230

0 1
 S    2.926500      -1.904200      0.1086000    
 S   -3.505500       2.689600     -0.4894000    
 O   -1.402900       1.177100     -0.2961000    
 O   -2.430500      -2.193900      3.5900000E-02
 N    3.667700      0.6185000     -0.1499000    
 N   -3.341000     -3.9799999E-02 -0.2031000    
 C    4.918800     -8.6400002E-02  0.1335000    
 C    2.542100     -0.1917000     -8.5299999E-02
 C    4.696800      -1.563900     -0.2151000    
 C    3.676900       2.066700     -0.1799000    
 C    1.255800      0.1836000     -0.1467000    
 C   9.6600004E-02 -0.6918000     -7.5999998E-02
 C   -1.141400     -0.1755000     -0.1513000    
 C    2.993600       2.651400       1.039000    
 C   -2.362500     -0.9862000     -8.8399999E-02
 C   -4.770700     -0.3118000     -0.1993000    
 C   0.2972000      -2.173700      8.1799999E-02
 C   -2.777800       1.202400     -0.3222000    
 C   -5.339700     -0.2704000       1.203900    
 H    5.165000      2.0400001E-02   1.197200    
 H    5.753200      0.3184000     -0.4498000    
 H    4.885000      -1.736800      -1.279900    
 H    5.343000      -2.224300      0.3693000    
 H    4.707000       2.439600     -0.2271000    
 H    3.179100       2.422100      -1.089800    
 H    1.034500       1.232500     -0.3180000    
 H    1.913900       2.500800       1.065300    
 H    3.411200       2.232700       1.961300    
 H    3.156900       3.734500       1.064800    
 H   -5.294200      0.4035000     -0.8405000    
 H   -4.926500      -1.313200     -0.6166000    
 H   0.7766000      -2.606200     -0.8038000    
 H  -0.5750000      -2.811000      0.1262000    
 H   0.7352000      -2.414300       1.057100    
 H   -4.846000      -1.004200       1.849900    
 H   -5.206800      0.7150000       1.661400    
 H   -6.410300     -0.4969000       1.187900    


%chk=000103230-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103230

0 1
S 3.373963 -2.087324 0.143354
S -3.287990 2.817472 -0.298469
O -1.309510 0.940782 -0.193729
O -2.866852 -2.299720 -0.131842
N 3.621505 0.546565 -0.146691
N -3.368195 0.035299 -0.210172
C 4.978588 0.105940 0.248032
C 2.620849 -0.416489 -0.053703
C 5.099962 -1.362729 -0.182219
C 3.336585 1.992644 -0.265403
C 1.258691 -0.139270 -0.098340
C 0.136948 -1.038827 -0.104591
C -1.143597 -0.493307 -0.148087
C 3.040884 2.688175 1.083626
C -2.474200 -1.095619 -0.156384
C -4.834227 -0.106193 -0.208565
C 0.269904 -2.549849 -0.058498
C -2.688895 1.244046 -0.230564
C -5.429394 0.030760 1.207175
H 5.124269 0.200715 1.345266
H 5.730972 0.735115 -0.260176
H 5.318977 -1.467236 -1.255705
H 5.826262 -1.926240 0.420850
H 4.215379 2.460784 -0.747041
H 2.487285 2.122443 -0.959304
H 0.985014 0.921088 -0.123059
H 2.167092 2.236294 1.583021
H 3.904890 2.624210 1.769267
H 2.820509 3.757189 0.913015
H -5.243639 0.669937 -0.878983
H -5.049338 -1.105008 -0.626583
H 0.883770 -2.915781 -0.902077
H -0.717928 -3.033823 -0.103330
H 0.770128 -2.872021 0.874673
H -5.027851 -0.748044 1.878125
H -5.201685 1.024311 1.629964
H -6.527325 -0.083689 1.162048


