%chk=000173996.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173996

1 1
 S    2.629500       1.938200     -0.4315000    
 S  -0.5880000       1.716100     -0.4372000    
 S   -3.558500       1.578600     -0.4834000    
 O   3.0700000E-02  -1.950900      0.4327000    
 N    2.671100     -0.6318000      0.1797000    
 N   -1.874500     -0.4951000      5.3599998E-02
 C    4.077900     -0.3063000     -5.9999999E-02
 C    1.801400      0.4179000     -8.3300002E-02
 C    4.226000       1.212600      9.6699998E-02
 C   0.4606000      0.3876000     -0.1034000    
 C  -0.3278000     -0.8226000      0.1635000    
 C    2.301500      -2.019000      0.3737000    
 C   -2.817700      -1.587600      0.3133000    
 C   -2.049200      0.7495000     -0.2420000    
 C   -3.114500      -2.310000     -0.9832000    
 C   -3.868500       2.122700       1.210600    
 H    4.355200     -0.6127000      -1.076300    
 H    4.740000     -0.8241000      0.6429000    
 H    4.384500       1.473600       1.148400    
 H    5.057700       1.606300     -0.4937000    
 H   -2.387500      -2.259700       1.062200    
 H   -3.733200      -1.163100      0.7370000    
 H    3.228000      -2.609400      0.4426000    
 H    1.825500      -2.456900     -0.5096000    
 H    1.860300      -2.194600       1.359800    
 H   -3.556100      -1.639200      -1.728500    
 H   -2.207600      -2.742500      -1.420100    
 H   -3.822700      -3.125700     -0.8057000    
 H   -3.931900       1.263600       1.883800    
 H   -4.816600       2.665400       1.248500    
 H   -3.072100       2.789300       1.552100    


%chk=000173996-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173996

1 1
S 2.361338 1.875120 -0.456471
S -0.760243 1.430307 0.610827
S -3.844442 0.834827 0.772228
O 0.009421 -2.338362 -0.381032
N 2.736244 -0.660338 0.251905
N -1.826062 -0.938757 0.216134
C 4.072761 -0.232391 -0.264611
C 1.738885 0.242756 0.067425
C 4.142196 1.296511 -0.101048
C 0.357402 0.016651 0.234538
C -0.377293 -1.200477 -0.001134
C 2.574939 -1.964024 0.933657
C -2.789371 -2.062055 0.015623
C -2.163040 0.330912 0.507108
C -3.351976 -2.093038 -1.418827
C -3.628042 2.665856 1.186831
H 4.166867 -0.525751 -1.327252
H 4.864941 -0.735006 0.313447
H 4.406018 1.612087 0.918893
H 4.801688 1.771243 -0.840259
H -2.214154 -2.980283 0.221309
H -3.589714 -1.965019 0.771221
H 3.546283 -2.259796 1.359834
H 2.206052 -2.739107 0.242018
H 1.840238 -1.858222 1.749366
H -3.917081 -1.177748 -1.664742
H -2.541007 -2.224739 -2.153900
H -4.038703 -2.951607 -1.514053
H -3.025639 2.776957 2.100008
H -4.651144 3.028949 1.363178
H -3.183860 3.194743 0.330979


