%chk=000097033.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097033

0 1
 S    7.536800     -0.1946000     -7.3000002E-03
 O    7.984400      0.5364000       1.385100    
 O    7.830100      -1.612400      0.1446000    
 O    8.096300      0.5637000      -1.115400    
 N   -4.478300      5.5799998E-02  1.5100000E-02
 N    1.074600     -0.5352000      0.2760000    
 N    1.636000      0.4366000     -0.2825000    
 C   -5.084700       1.198400     -0.6245000    
 C   -5.350400     -0.9692000      0.5918000    
 C   -5.127500       2.391500      0.3265000    
 C   -5.539000      -2.129700     -0.3816000    
 C   -3.085500     -9.2600003E-02  8.0399998E-02
 C   -5.805900       3.616000     -0.2933000    
 C   -6.482700      -3.206600      0.1598000    
 C   -2.253800      0.8769000     -0.4804000    
 C   -2.531600      -1.209300      0.7062000    
 C   -5.891800       4.764900      0.6995000    
 C   -6.701900      -4.315400     -0.8579000    
 C  -0.8684000      0.7293000     -0.4153000    
 C   -1.146100      -1.356800      0.7713000    
 C  -0.3145000     -0.3874000      0.2106000    
 C    3.031900      0.2878000     -0.2163000    
 C    5.802800     -7.7999998E-03 -8.6499996E-02
 C    3.585600     -0.8290000      0.4098000    
 C    3.863700       1.256700     -0.7776000    
 C    4.971000     -0.9769000      0.4747000    
 C    5.249100       1.108900     -0.7126000    
 H   -4.603400       1.452400      -1.576100    
 H   -6.116600      0.9522000     -0.9102000    
 H   -6.336200     -0.5266000      0.7903000    
 H   -5.011400      -1.303500       1.579000    
 H   -4.118300       2.669600      0.6510000    
 H   -5.669700       2.104500       1.237300    
 H   -5.942200      -1.741900      -1.326400    
 H   -4.577200      -2.591500     -0.6315000    
 H   -6.816700       3.352700     -0.6257000    
 H   -5.246200       3.940800      -1.177800    
 H   -6.067100      -3.634100       1.079500    
 H   -7.449700      -2.758800      0.4164000    
 H   -2.623700       1.767000     -0.9776000    
 H   -3.117900      -2.001000       1.158700    
 H   -6.474600       4.479400       1.581000    
 H   -6.377500       5.629700      0.2368000    
 H   -4.894800       5.072100       1.030900    
 H   -7.147600      -3.922100      -1.777200    
 H   -7.376900      -5.074800     -0.4511000    
 H   -5.756600      -4.803800      -1.115400    
 H  -0.2774000       1.519700     -0.8706000    
 H  -0.7221000      -2.230200       1.259900    
 H    2.994200      -1.617700      0.8672000    
 H    3.440500       2.130600      -1.265900    
 H    5.381000      -1.851000      0.9729000    
 H    5.876600       1.880100      -1.150200    
 H    8.950700      0.5135000       1.579900    


%chk=000097033-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097033

0 1
S 7.920413 -0.245876 -0.079080
O 8.174406 0.360572 1.666108
O 8.325067 -1.812849 -0.127897
O 8.619934 0.810565 -1.087262
N -4.490724 0.051159 0.014170
N 1.152320 -0.492890 0.181776
N 1.902434 0.502514 -0.255427
C -5.168107 1.208214 -0.612338
C -5.370517 -0.985428 0.597578
C -5.354424 2.417535 0.337517
C -5.699489 -2.146857 -0.373412
C -3.105629 -0.060434 0.046718
C -6.073996 3.595361 -0.358307
C -6.646457 -3.188056 0.264598
C -2.260152 1.004093 -0.435898
C -2.458146 -1.236489 0.561604
C -6.274975 4.805767 0.578466
C -6.995345 -4.342231 -0.699661
C -0.870295 0.897358 -0.408676
C -1.063730 -1.332560 0.588800
C -0.236955 -0.277174 0.106239
C 3.304780 0.242546 -0.169861
C 6.068794 -0.043803 -0.101817
C 3.882528 -0.978352 0.292862
C 4.144287 1.307116 -0.601694
C 5.278923 -1.126874 0.331239
C 5.545478 1.174926 -0.566875
H -4.614990 1.519281 -1.518299
H -6.161418 0.866353 -0.961094
H -6.313102 -0.492078 0.902806
H -4.916264 -1.381965 1.524776
H -4.367195 2.750352 0.712822
H -5.935831 2.097745 1.225765
H -6.165377 -1.732487 -1.290279
H -4.761124 -2.639292 -0.694541
H -7.058484 3.253305 -0.738594
H -5.489244 3.909318 -1.247271
H -6.176885 -3.600988 1.180944
H -7.579640 -2.685581 0.592773
H -2.707022 1.924691 -0.820824
H -3.049470 -2.079937 0.926444
H -6.887070 4.531140 1.457818
H -6.784939 5.636798 0.058414
H -5.304865 5.184608 0.950724
H -7.497143 -3.961910 -1.609020
H -7.671001 -5.074920 -0.222380
H -6.084494 -4.881407 -1.020159
H -0.236772 1.711837 -0.773367
H -0.573208 -2.231392 0.977417
H 3.216122 -1.783432 0.614171
H 3.671853 2.227967 -0.956626
H 5.750022 -2.055288 0.669229
H 6.209990 1.976924 -0.901976
H 9.156526 0.309809 1.856160


