%chk=000106061.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106061

0 1
 S   0.1704000      -3.929500     -0.1242000    
 O   -1.404900       2.618200     -0.4618000    
 O   -4.632500      -1.528000      0.5056000    
 O  -0.4040000      -4.664100      -1.465000    
 O    1.606500      -3.786000     -0.2959000    
 O  -0.3792000      -4.606700       1.037300    
 N   0.7048000       1.100500     -0.6932000    
 N   -2.706800      -3.247300      0.3245000    
 N    6.901400      0.4584000      0.7476000    
 C   -1.574200      0.2679000     -0.2082000    
 C   -2.417100     -0.8165000      4.4300001E-02
 C  -0.2088000      5.3900000E-02 -0.4315000    
 C   -1.894500      -2.115100      7.2999999E-02
 C  -0.5332000      -2.323900     -0.1503000    
 C   -3.554800       1.854800     -3.8999999E-03
 C   -2.112400       1.643100     -0.2420000    
 C   -4.397600      0.7705000      0.2489000    
 C   -3.859600     -0.6049000      0.2820000    
 C   0.3078000      -1.241900     -0.4020000    
 C    2.076600       1.254100     -0.4251000    
 C   -4.077300       3.153400     -3.2499999E-02
 C   -5.763000      0.9846000      0.4728000    
 C    4.802200       1.560800      0.1084000    
 C    6.256900       1.724100      0.3931000    
 C    2.647800      0.6345000      0.6892000    
 C    2.874700       2.027800      -1.271400    
 C   -5.438400       3.362300      0.1913000    
 C   -6.279500       2.280300      0.4432000    
 C    4.008500      0.7876000      0.9556000    
 C    4.235300       2.180800      -1.005100    
 C    8.322800      0.6682000       1.017300    
 C    6.722100     -0.5221000     -0.3219000    
 H    1.359200      -1.411200     -0.6129000    
 H   0.3019000       1.873000      -1.215000    
 H   -3.444700       4.015400     -0.2266000    
 H   -6.441800      0.1597000      0.6718000    
 H   -2.324000      -4.181700      0.3123000    
 H   -3.697200      -3.139000      0.4906000    
 H    6.763900       2.178300     -0.4694000    
 H    6.352800       2.434600       1.224700    
 H    2.049900      5.0099999E-02   1.383400    
 H    2.445400       2.515900      -2.142800    
 H   -5.843100       4.370000      0.1690000    
 H   -7.338800       2.445800      0.6170000    
 H    4.423800      0.3116000       1.840000    
 H    4.840600       2.786900      -1.673900    
 H  -0.1512000      -4.242400      -2.319800    
 H    8.796400     -0.2673000       1.335500    
 H    8.457900       1.381200       1.838300    
 H    8.861200       1.045700      0.1403000    
 H    7.266000      -1.443700     -8.1000000E-02
 H    7.100600     -0.1578000      -1.284600    
 H    5.681200     -0.8324000     -0.4532000    


%chk=000106061-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106061

0 1
S 0.190327 -3.956254 -0.082990
O -1.442802 2.720598 -0.413973
O -4.828730 -1.570013 0.442544
O -0.126988 -4.224885 -1.889622
O 1.781467 -3.836304 0.164324
O -0.670825 -5.064550 0.741137
N 0.616659 1.210047 -0.324557
N -2.845017 -3.217069 0.417714
N 7.082898 0.438581 0.504652
C -1.667536 0.332068 -0.081986
C -2.553056 -0.791507 0.112829
C -0.237975 0.134166 -0.165890
C -2.037583 -2.142269 0.187310
C -0.613413 -2.266606 0.009484
C -3.667850 1.902346 -0.038859
C -2.211937 1.695851 -0.188388
C -4.537823 0.795835 0.175546
C -4.006384 -0.586897 0.251222
C 0.259081 -1.208245 -0.159547
C 2.032116 1.246109 -0.214676
C -4.202690 3.215130 -0.114496
C -5.932802 1.014891 0.312837
C 4.870635 1.507105 -0.004386
C 6.377099 1.689142 0.152642
C 2.766319 0.442607 0.701974
C 2.732801 2.190759 -1.012588
C -5.586602 3.423506 0.025671
C -6.454807 2.319370 0.240009
C 4.165257 0.573684 0.794943
C 4.131811 2.313750 -0.905396
C 8.426452 0.681622 1.064237
C 7.105120 -0.540744 -0.601438
H 1.322717 -1.404574 -0.324320
H 0.084808 2.105180 -0.478462
H -3.510244 4.045202 -0.282468
H -6.576846 0.145521 0.474492
H -2.440150 -4.150435 0.552069
H -3.855810 -2.999667 0.505297
H 6.787668 2.161107 -0.778417
H 6.564465 2.411444 0.973528
H 2.246222 -0.247240 1.374359
H 2.174516 2.810605 -1.723140
H -5.996287 4.437627 -0.030668
H -7.532092 2.484666 0.347967
H 4.738351 -0.044395 1.494548
H 4.656219 3.041376 -1.537079
H 0.208346 -5.139164 -2.125876
H 8.868187 -0.276490 1.391343
H 8.351821 1.342540 1.946448
H 9.134836 1.152875 0.336146
H 7.550940 -1.487706 -0.249351
H 7.693272 -0.185584 -1.485534
H 6.075840 -0.752212 -0.937365


