%chk=000050114.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050114

0 1
 S   -4.710000       1.540200      9.5299996E-02
 O   0.7860000       1.660300     -0.3515000    
 O   0.6532000      -2.327800     -0.1655000    
 O   -3.594200       2.235400      0.7093000    
 O   -5.751600       2.317400     -0.5554000    
 N    5.342800      0.6816000      8.4700003E-02
 N    1.902400     -0.2289000      -1.105600    
 N   -4.135800      0.3926000      -1.060300    
 N   -5.463100      0.5353000       1.276200    
 C    3.957700      0.1939000      0.1380000    
 C    4.134700      -1.279500      0.5108000    
 C    5.473300      -1.352700       1.237100    
 C    6.002400      7.1800001E-02   1.242100    
 C    3.207400      0.3578000      -1.177800    
 C    5.444800       2.135600      0.1164000    
 C    6.889400       2.590900      0.1056000    
 C   0.7775000      0.4802000     -0.6917000    
 C  -0.4987000     -0.2790000     -0.6465000    
 C   -1.698600      0.3965000     -0.8694000    
 C  -0.5079000      -1.649300     -0.3860000    
 C   -2.907500     -0.2983000     -0.8319000    
 C   -1.716800      -2.344200     -0.3485000    
 C   -2.916500      -1.668700     -0.5715000    
 C   -6.589400     -0.3240000      0.8366000    
 C   -4.628400     -0.1109000       2.316700    
 C   0.5470000      -3.726300      9.2699997E-02
 H    3.406000      0.6910000      0.9492000    
 H    3.319000      -1.626600       1.154600    
 H    4.164400      -1.932500     -0.3699000    
 H    5.362900      -1.744700       2.253300    
 H    6.153500      -2.018300      0.6924000    
 H    5.719900      0.5662000       2.180700    
 H    7.093700      7.1199998E-02   1.158600    
 H    3.739200     -0.1352000      -1.999800    
 H    3.102200       1.415800      -1.440000    
 H    4.936500       2.558400      0.9923000    
 H    4.959200       2.557000     -0.7707000    
 H    1.811600      -1.199600      -1.388900    
 H    7.405800       2.360000       1.042700    
 H    7.447200       2.137900     -0.7212000    
 H    6.934200       3.677800     -2.4499999E-02
 H   -1.694000       1.461000      -1.092100    
 H   -1.803100      -3.407200     -0.1525000    
 H   -3.853200      -2.219400     -0.5404000    
 H   -4.859900     -0.1645000      -1.532500    
 H   -7.244600      0.2186000      0.1497000    
 H   -7.193300     -0.6124000       1.702700    
 H   -6.217400      -1.227600      0.3462000    
 H   -3.810900      0.5440000       2.628500    
 H   -4.218300      -1.057600       1.958300    
 H   -5.240500     -0.3058000       3.203200    
 H  -5.4000001E-03  -3.926100       1.017200    
 H   0.1348000      -4.265900     -0.7667000    
 H    1.564300      -4.102300      0.2444000    


%chk=000050114-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050114

0 1
S -4.473187 1.717901 -0.137433
O 0.900032 1.144699 -0.975272
O 0.394313 -3.088507 -0.994029
O -3.214240 2.725496 -0.055939
O -5.962736 2.171727 -0.583429
N 4.920112 0.910859 0.585710
N 1.970271 -0.915248 -0.958989
N -4.017744 0.410667 -1.573422
N -4.671056 1.075085 1.633163
C 3.709755 0.033172 0.609201
C 4.119033 -1.206518 1.460909
C 5.663467 -1.098930 1.588843
C 5.887965 0.426449 1.599084
C 3.304877 -0.307234 -0.853273
C 4.634163 2.361488 0.589509
C 5.856324 3.208811 0.190712
C 0.839588 -0.128616 -1.003909
C -0.505557 -0.831522 -1.111088
C -1.622318 0.019448 -1.248646
C -0.731284 -2.247190 -1.106764
C -2.945859 -0.488219 -1.355028
C -2.044672 -2.767201 -1.215581
C -3.144896 -1.897121 -1.311713
C -5.771982 0.103513 1.767181
C -3.393379 0.753065 2.300303
C 0.194811 -4.542255 -1.002384
H 2.843897 0.554503 1.074964
H 3.653867 -1.151639 2.462348
H 3.792934 -2.156350 0.998666
H 6.056166 -1.594301 2.493649
H 6.161112 -1.540581 0.706236
H 5.676502 0.842432 2.618603
H 6.921810 0.706655 1.328795
H 4.051857 -0.993567 -1.291375
H 3.305238 0.627622 -1.439598
H 4.261696 2.695278 1.593401
H 3.811410 2.545972 -0.126248
H 1.847386 -1.933017 -0.962877
H 6.681697 3.104420 0.918524
H 6.229580 2.896773 -0.800808
H 5.582920 4.278851 0.144038
H -1.436055 1.098672 -1.275559
H -2.219365 -3.846451 -1.215992
H -4.158882 -2.310688 -1.381426
H -4.932255 -0.046160 -1.752007
H -6.616337 0.427286 1.135165
H -6.111000 0.129970 2.819758
H -5.484825 -0.942436 1.519396
H -2.625550 1.472735 1.970993
H -3.040359 -0.283893 2.117860
H -3.546337 0.892339 3.387523
H -0.421521 -4.862404 -0.141779
H -0.271583 -4.872466 -1.949078
H 1.204094 -4.970277 -0.916188


