%chk=000159493.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159493

0 1
 S   0.7509000       1.313300       1.104700    
 O  -0.1908000       2.326200      0.5483000    
 N  -0.6013000      -2.123600     -0.6406000    
 C  -0.6318000     -0.9052000      0.1481000    
 C   0.6907000     -0.1261000     -4.5499999E-02
 C   -1.881600     -0.1478000     -0.2312000    
 C   0.9416000      0.3713000      -1.445900    
 C    2.413000       1.845400      0.6605000    
 C   0.1042000      -3.252100     -0.2709000    
 C   -2.888600      8.6999997E-02  0.6256000    
 C    3.486100      0.9797000      0.8434000    
 C    2.612300       3.119000      0.1386000    
 C   9.6699998E-02  -4.409400      -1.075800    
 C   0.8545000      -3.281800      0.9219000    
 C   -4.125400      0.8139000      0.2968000    
 C    2.025600      5.4299999E-02  -2.163900    
 C    4.980300       2.668500     -2.3499999E-02
 C    4.773600       1.392600      0.5005000    
 C    3.899700       3.531800     -0.2045000    
 C   0.8098000      -5.548900     -0.7032000    
 C    1.567800      -4.421300       1.294500    
 C   -4.147600       1.655400     -0.8047000    
 C   -5.246900      0.6439000       1.094000    
 C    1.545300      -5.554700      0.4818000    
 C    6.357000       3.110100     -0.3906000    
 C   -5.320000       2.343900      -1.116900    
 C   -6.419300       1.332200      0.7819000    
 C   -6.455700       2.182200     -0.3236000    
 H  -0.7369000      -1.159900       1.211400    
 H    1.517500     -0.7753000      0.2532000    
 H   -1.044000      -2.126800      -1.553700    
 H   -1.945300      0.1724000      -1.267100    
 H   0.2108000       1.036200      -1.899800    
 H   -2.814100     -0.2780000       1.647500    
 H    3.354600     -9.8000001E-03   1.271900    
 H    1.788900       3.811800     -9.2000002E-03
 H  -0.4714000      -4.422700      -2.003600    
 H   0.9020000      -2.439900       1.605200    
 H    2.794200     -0.6049000      -1.776300    
 H    2.154700      0.4507000      -3.165100    
 H    5.608400      0.7134000      0.6522000    
 H    4.048700       4.529100     -0.6098000    
 H   0.7923000      -6.431500      -1.335700    
 H    2.138300      -4.427900       2.218700    
 H   -3.282200       1.830500      -1.436000    
 H   -5.234800     -1.5699999E-02   1.957600    
 H    2.100000      -6.442200      0.7723000    
 H    6.972800       2.261500     -0.7075000    
 H    6.837900       3.591900      0.4664000    
 H    6.335000       3.818900      -1.225400    
 H   -5.347400       3.010100      -1.974200    
 H   -7.303900       1.206500       1.399400    
 H   -7.368200       2.719300     -0.5657000    


%chk=000159493-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159493

0 1
S 1.117449 1.429363 1.279925
O 0.125294 2.691535 0.786038
N -0.741075 -2.085430 -0.175687
C -0.572701 -0.781733 0.473958
C 0.726101 -0.096008 -0.056354
C -1.791122 0.114133 0.306414
C 0.659394 0.482522 -1.422139
C 2.820282 1.900540 0.618863
C -0.029851 -3.247380 0.161369
C -3.053845 -0.323131 0.043640
C 3.943033 1.093947 0.885235
C 2.918085 3.105148 -0.096011
C -0.138874 -4.394741 -0.680715
C 0.783503 -3.341424 1.329770
C -4.257583 0.525266 -0.088351
C 1.641056 0.348579 -2.353571
C 5.345251 2.724691 -0.324630
C 5.203853 1.511907 0.401841
C 4.186981 3.509947 -0.565622
C 0.531768 -5.589846 -0.360063
C 1.445880 -4.548721 1.641248
C -4.223202 1.946163 0.024280
C -5.512933 -0.098081 -0.336473
C 1.331625 -5.682156 0.805409
C 6.710282 3.185124 -0.805446
C -5.401947 2.706327 -0.106924
C -6.694195 0.663370 -0.467513
C -6.644293 2.071402 -0.353590
H -0.435117 -0.960616 1.562024
H 1.606505 -0.741797 0.105790
H -1.183685 -2.061445 -1.096724
H -1.580451 1.183008 0.458662
H -0.238142 1.069932 -1.654845
H -3.221000 -1.404766 -0.068826
H 3.853363 0.162454 1.457245
H 2.006417 3.692336 -0.263030
H -0.758622 -4.340369 -1.585088
H 0.892332 -2.486853 2.005809
H 2.553353 -0.226447 -2.151867
H 1.555197 0.811953 -3.342708
H 6.087463 0.892237 0.596110
H 4.280327 4.447446 -1.126834
H 0.428649 -6.455991 -1.023977
H 2.059052 -4.599311 2.548785
H -3.274047 2.458685 0.216810
H -5.557825 -1.191290 -0.423107
H 1.851262 -6.613297 1.052895
H 7.377504 2.330775 -1.015006
H 7.208547 3.810744 -0.039517
H 6.632072 3.792971 -1.723749
H -5.355552 3.797533 -0.016251
H -7.649565 0.160988 -0.656729
H -7.558252 2.667308 -0.454276


