%chk=000079377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079377

0 1
 S   -5.180700      0.4120000       1.118600    
 N   -6.852500      -1.340100      0.1420000    
 N   -6.881400      0.9363000     -0.7800000    
 C    2.695600      0.1145000      0.4914000    
 C    3.916000     -0.1727000     -0.3875000    
 C    1.362000     -0.1242000     -0.2263000    
 C    5.248500      0.1330000      0.3045000    
 C   0.1406000      0.1405000      0.6582000    
 C    6.472700     -0.2221000     -0.5424000    
 C   -1.190700     -0.1103000     -5.9999999E-02
 C    7.771300      0.1139000      0.1946000    
 C   -2.413500      0.2344000      0.7980000    
 C    8.996900     -0.2752000     -0.6321000    
 C   -3.745300     -9.6000005E-03  8.7899998E-02
 C    10.28830      2.6400000E-02  0.1110000    
 C   -6.495700     -1.7200001E-02 -1.1900000E-02
 C   -7.846200      -2.092400     -0.5788000    
 C   -6.285700       2.252900     -0.6872000    
 H    2.734700       1.156000      0.8337000    
 H    2.741900     -0.5159000       1.387800    
 H    3.848000      0.4208000      -1.307600    
 H    3.898600      -1.227200     -0.6890000    
 H    1.311100      0.5189000      -1.113500    
 H    1.328000      -1.160800     -0.5839000    
 H    5.280600       1.199100      0.5612000    
 H    5.293900     -0.4213000       1.250300    
 H   0.1930000     -0.4955000       1.550300    
 H   0.1715000       1.180000       1.007100    
 H    6.450400      -1.291400     -0.7846000    
 H    6.434100      0.3262000      -1.491400    
 H   -1.244600      -1.163400     -0.3621000    
 H   -1.221300      0.4861000     -0.9801000    
 H    7.802100       1.187500      0.4167000    
 H    7.794900     -0.4155000       1.154900    
 H   -2.375300     -0.3606000       1.719500    
 H   -2.347000       1.288800       1.095500    
 H    8.961900      -1.344800     -0.8698000    
 H    8.992000      0.2691000      -1.583500    
 H   -3.820100      -1.067400     -0.1877000    
 H   -3.777800      0.5705000     -0.8392000    
 H    10.33890     -0.5302000       1.052300    
 H    11.15170     -0.2582000     -0.4985000    
 H    10.36990       1.094200      0.3381000    
 H   -6.349100      -1.866600      0.8521000    
 H   -8.835100      -1.643800     -0.4469000    
 H   -7.882100      -3.121800     -0.2105000    
 H   -7.607800      -2.115600      -1.646200    
 H   -6.820000       2.909300      -1.384400    
 H   -6.413100       2.716100      0.2975000    
 H   -5.240600       2.279500      -1.009000    


%chk=000079377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079377

0 1
S -5.155269 0.064679 1.306918
N -7.322107 -1.283121 0.338919
N -6.917242 0.668087 -0.907914
C 2.773938 0.098877 0.521776
C 4.017152 -0.126764 -0.367788
C 1.438086 -0.146493 -0.215416
C 5.350912 0.120561 0.372552
C 0.198932 0.068334 0.682506
C 6.597024 -0.115168 -0.510496
C -1.138707 -0.171897 -0.054016
C 7.929545 0.128773 0.233260
C -2.370354 0.036477 0.860614
C 9.176990 -0.111096 -0.647572
C -3.691538 -0.193997 0.109794
C 10.503036 0.130231 0.105903
C -6.597739 -0.138801 0.053320
C -8.538803 -1.629004 -0.402884
C -6.247217 1.945698 -1.151516
H 2.789156 1.136699 0.916006
H 2.831351 -0.569467 1.406572
H 3.960829 0.539972 -1.253860
H 4.003357 -1.165472 -0.759930
H 1.376039 0.527759 -1.095298
H 1.425715 -1.181906 -0.616047
H 5.367532 1.161274 0.759163
H 5.402978 -0.541215 1.262664
H 0.260502 -0.609298 1.559590
H 0.213558 1.102016 1.086641
H 6.579578 -1.155571 -0.898129
H 6.547401 0.547761 -1.399922
H -1.151824 -1.203508 -0.463406
H -1.204939 0.512173 -0.925581
H 7.949814 1.169736 0.619208
H 7.979061 -0.532616 1.123854
H -2.307440 -0.654039 1.725332
H -2.356168 1.065033 1.272746
H 9.154241 -1.150259 -1.035253
H 9.128669 0.552074 -1.535604
H -3.758373 -1.221862 -0.285063
H -3.805762 0.519285 -0.723734
H 10.589549 -0.542705 0.980053
H 11.378851 -0.047159 -0.545269
H 10.563389 1.170640 0.477846
H -6.941649 -1.914027 1.041901
H -9.235980 -0.772310 -0.409965
H -9.024534 -2.492827 0.081826
H -8.314762 -1.879141 -1.457554
H -7.010270 2.736077 -1.279084
H -5.561574 2.250359 -0.331108
H -5.671438 1.899347 -2.097455


