%chk=000172508.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172508

0 1
 S    6.245800     -0.1280000      0.2400000    
 O   -5.001400     -0.1775000      1.8900000E-02
 O  -0.2298000       2.215400     -0.2097000    
 O    3.559000       2.169500      0.6820000    
 O    6.293400     -0.8224000       1.718200    
 O    7.301200     -0.7386000     -0.5528000    
 O    6.185900       1.313300      0.4171000    
 N   -3.951000      -2.559000      0.2088000    
 N    1.064600     -4.3400001E-02 -2.7400000E-02
 C   -2.648600     -0.4625000      2.7600000E-02
 C   -1.401400      0.1629000     -3.1599998E-02
 C   -2.726300      -1.855500      0.1439000    
 C  -0.2319000     -0.6046000      2.6100000E-02
 C   -3.890500      0.3352000     -3.1700000E-02
 C   -1.305100       1.631800     -0.1552000    
 C   -3.794000       1.804000     -0.1550000    
 C   -2.546800       2.429500     -0.2145000    
 C   -4.020800      -3.980600      0.3275000    
 C   -1.558300      -2.616600      0.2009000    
 C  -0.3138000      -1.992500      0.1423000    
 C    2.291500     -0.5298000     -0.5124000    
 C    3.504200     -0.1233000      5.2400000E-02
 C    4.710500     -0.6175000     -0.4437000    
 C   -4.963600       2.571600     -0.2125000    
 C   -2.469200       3.822400     -0.3315000    
 C   -5.387900      -4.457200     -0.1449000    
 C   -3.761700      -4.383800       1.773300    
 C    2.296300      -1.435100      -1.577700    
 C    3.499200      0.8456000       1.193500    
 C   -4.881600       3.959400     -0.3294000    
 C   -3.637100       4.583400     -0.3886000    
 C    4.709700      -1.520400      -1.506900    
 C    3.502600      -1.929300      -2.073700    
 C    3.557000       3.133700       1.726500    
 H   -3.307100      -4.481900     -0.3366000    
 H   -4.804100      -2.018300      0.2800000    
 H   -1.533600      -3.696400      0.2897000    
 H   0.5719000      -2.617200      0.2213000    
 H    1.105900      0.9138000      0.3064000    
 H   -5.947000       2.111400     -0.1684000    
 H   -1.512300       4.335300     -0.3799000    
 H   -5.465400      -5.547800     -8.2500003E-02
 H   -6.194000      -4.025800      0.4598000    
 H   -5.565300      -4.164600      -1.185900    
 H   -2.780900      -4.072300       2.142700    
 H   -3.821500      -5.472300       1.883100    
 H   -4.509800      -3.942800       2.442900    
 H    1.375900      -1.752000      -2.060900    
 H    2.590400      0.7297000       1.797700    
 H    4.303800      0.6662000       1.911800    
 H   -5.789300       4.554300     -0.3741000    
 H   -3.576100       5.664100     -0.4794000    
 H    5.629900      -1.925500      -1.917200    
 H    3.502300      -2.627800      -2.905500    
 H    6.259500      -1.807900       1.723900    
 H    3.607600       4.128500       1.275800    
 H    4.427900       2.999900       2.375400    
 H    2.635200       3.062200       2.311800    


%chk=000172508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172508

0 1
S 6.466553 -0.313304 0.278803
O -4.996268 -0.208106 0.135325
O -0.058318 2.278087 0.023286
O 2.978442 2.111594 0.349846
O 6.123516 -0.937688 2.004509
O 7.606510 -1.234144 -0.406157
O 6.710585 1.282797 0.382245
N -3.890349 -2.528365 0.156842
N 1.167361 0.004489 -0.190224
C -2.584548 -0.453452 0.057611
C -1.290410 0.194770 -0.022035
C -2.672939 -1.897925 0.106513
C -0.090838 -0.594456 -0.092315
C -3.816717 0.340814 0.079567
C -1.198548 1.666205 -0.010634
C -3.718881 1.819623 0.024026
C -2.449656 2.461914 -0.019167
C -4.115401 -3.985233 0.240510
C -1.443205 -2.648825 0.117959
C -0.211461 -2.022695 0.016778
C 2.371802 -0.625930 -0.573034
C 3.599014 -0.166333 0.017878
C 4.772572 -0.809085 -0.413280
C -4.902718 2.601811 0.022632
C -2.378282 3.878570 -0.063221
C -5.530078 -4.291608 -0.294687
C -3.934725 -4.506042 1.690388
C 2.407130 -1.651169 -1.560512
C 3.540958 0.942540 1.046078
C -4.823724 4.005741 -0.025010
C -3.556576 4.646983 -0.068479
C 4.838371 -1.844669 -1.359260
C 3.619014 -2.255381 -1.941676
C 2.781801 3.252915 1.246862
H -3.381468 -4.495111 -0.416539
H -4.697276 -1.861137 0.170574
H -1.474324 -3.736234 0.224662
H 0.696560 -2.629761 0.065496
H 1.175208 1.047020 -0.056249
H -5.863271 2.079497 0.059605
H -1.388486 4.343586 -0.094918
H -5.728156 -5.376845 -0.255189
H -6.297857 -3.782773 0.317607
H -5.641330 -3.953627 -1.339813
H -2.935341 -4.256296 2.088631
H -4.059016 -5.603828 1.725435
H -4.688841 -4.049027 2.355971
H 1.477516 -1.945183 -2.056107
H 2.862766 0.639334 1.875552
H 4.533556 1.183682 1.465786
H -5.739893 4.606197 -0.028299
H -3.498333 5.740094 -0.106616
H 5.798202 -2.291230 -1.633274
H 3.621469 -3.036179 -2.708607
H 6.943480 -0.764568 2.552873
H 2.332531 4.044082 0.629570
H 3.749952 3.597268 1.663976
H 2.086365 2.999496 2.073604


