%chk=000043691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043691

0 1
 S   -7.624100      0.3084000      5.1700000E-02
 S    7.597800      0.3105000      3.0999999E-02
 O   -6.142800     -0.3788000      4.1499998E-02
 O    6.120100     -0.3784000     -5.6899998E-02
 O   -7.867600      0.9462000      -1.226100    
 O   -7.824200       1.002900       1.307400    
 O    7.785000      0.8820000       1.349000    
 O    7.848500       1.068800      -1.177800    
 N    2.525900      0.4109000     -7.1099997E-02
 C   -1.224900     -0.4349000     -6.9700003E-02
 C   -2.477200      0.4433000     -2.4100000E-02
 C   4.9199998E-02  0.4153000     -6.0699999E-02
 C   -3.748600     -0.4022000      8.9999998E-04
 C    1.329100     -0.4202000     -0.1202000    
 C   -4.999900      0.4645000      3.1000001E-03
 C    3.729200     -0.4076000     -0.1190000    
 C    4.973400      0.4610000     -2.3700001E-02
 C   -8.553200      -1.202800      0.1014000    
 C    8.533000      -1.195200     -5.6800000E-02
 C   -10.03610     -0.9473000     -5.0700001E-02
 C    10.00730     -0.9464000      0.1707000    
 H   -1.243900      -1.057900     -0.9720000    
 H   -1.217200      -1.112800      0.7923000    
 H   -2.446500       1.084000      0.8655000    
 H   -2.491800       1.104900     -0.8987000    
 H   6.1299998E-02   1.032500      0.8469000    
 H   2.7400000E-02   1.106300     -0.9133000    
 H   -3.776000      -1.073800     -0.8664000    
 H   -3.754400      -1.052900      0.8843000    
 H    1.322100      -1.015700      -1.041600    
 H    1.330000      -1.119000      0.7253000    
 H   -5.007100       1.121300      0.8799000    
 H   -5.037400       1.082700     -0.9005000    
 H    2.522200       1.068600     -0.8501000    
 H    3.768300     -0.9930000      -1.046300    
 H    3.739800      -1.129700      0.7072000    
 H    5.018500       1.163800     -0.8636000    
 H    4.973600       1.031700      0.9121000    
 H   -8.198100      -1.835900     -0.7176000    
 H   -8.338400      -1.695700       1.054100    
 H    8.360400      -1.638800      -1.041700    
 H    8.145800      -1.869900      0.7129000    
 H   -10.40740     -0.2939000      0.7455000    
 H   -10.26050     -0.4667000      -1.008300    
 H   -10.59100      -1.889400     -5.5999998E-03
 H    10.40970     -0.2527000     -0.5744000    
 H    10.18960     -0.5154000       1.160300    
 H    10.56680      -1.884300      0.1010000    


%chk=000043691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043691

0 1
S -7.817082 0.467276 -0.167607
S 7.764998 0.495695 0.353128
O -6.185402 -0.438185 -0.335823
O 6.183506 -0.434335 0.787510
O -8.269568 1.103274 -1.587191
O -7.757663 1.420648 1.144883
O 8.466578 1.125568 1.668287
O 7.445177 1.456884 -0.918323
N 2.588723 0.160964 0.012762
C -1.210557 -0.559838 -0.164573
C -2.462884 0.345368 -0.184206
C 0.105626 0.245825 -0.091444
C -3.780434 -0.465383 -0.244643
C 1.357455 -0.652895 -0.069874
C -5.005434 0.459564 -0.266983
C 3.856079 -0.582584 0.112597
C 4.950927 0.370056 0.634537
C -8.821432 -1.144208 0.187843
C 8.715832 -1.096339 -0.191586
C -10.312897 -0.826775 0.165100
C 10.200074 -0.779854 -0.338678
H -1.206345 -1.199955 -1.071120
H -1.269353 -1.247339 0.704603
H -2.463244 0.988978 0.719190
H -2.407089 1.028307 -1.056876
H 0.113817 0.882292 0.814430
H 0.161383 0.933108 -0.962689
H -3.790649 -1.102254 -1.149591
H -3.850707 -1.138335 0.631179
H 1.340533 -1.327623 -0.963644
H 1.323127 -1.308967 0.822780
H -5.058254 1.074710 0.652627
H -4.986512 1.120575 -1.155300
H 2.617555 0.889031 -0.713565
H 4.200035 -1.044406 -0.842889
H 3.719910 -1.403333 0.841134
H 5.127044 1.189378 -0.093976
H 4.659230 0.795072 1.610174
H -8.485836 -1.819675 -0.613883
H -8.427601 -1.463258 1.164482
H 8.201469 -1.377054 -1.122936
H 8.479503 -1.804014 0.617993
H -10.589111 -0.104035 0.951699
H -10.623400 -0.423852 -0.813884
H -10.876565 -1.760579 0.345998
H 10.385065 -0.033304 -1.129669
H 10.625993 -0.407504 0.608352
H 10.734077 -1.708395 -0.613235


