%chk=000106545.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106545

0 1
 S   -2.557100      -4.247800     -1.9999999E-04
 S   -4.468800       3.405800     -0.1230000    
 O   0.3316000       1.903700      0.4492000    
 O   -2.869100      -4.685100       1.544000    
 O   -4.571100       3.737000      -1.720800    
 O   -3.817000      -4.322400     -0.7253000    
 O   -1.394200      -4.994100     -0.4547000    
 O   -5.750100       2.842000      0.2763000    
 O   -3.933800       4.580300      0.5482000    
 O    5.148700       2.591600     -0.1337000    
 N    1.005500     -0.6388000      0.4958000    
 N    1.564000     -0.5460000     -0.6206000    
 N    7.023800      0.5035000      6.6399999E-02
 C   -1.322100      0.1308000      0.2189000    
 C   -2.684100     -0.2124000      4.5899998E-02
 C  -0.3641000     -0.8910000      0.3219000    
 C   -2.082900      -2.569400      8.5600004E-02
 C   -3.047900      -1.567200     -1.8900000E-02
 C   -3.642000      0.8095000     -5.7599999E-02
 C   -3.262600       2.150500      8.8000000E-03
 C  -0.9580000       1.485700      0.2833000    
 C  -0.7435000      -2.232000      0.2556000    
 C   -1.923100       2.487900      0.1788000    
 C    2.935600     -0.2932000     -0.4470000    
 C    3.843300      -1.344500     -0.3499000    
 C    3.375800       1.025800     -0.3737000    
 C    5.201100      -1.075000     -0.1782000    
 C    5.646200      0.2449000     -0.1042000    
 C    4.733600       1.295300     -0.2020000    
 C    3.390600      -2.765800     -0.4284000    
 C    5.191400       3.190700       1.159500    
 H   -4.096300      -1.830800     -0.1446000    
 H   -4.688200      0.5452000     -0.1985000    
 H   1.4400000E-02  -3.006500      0.3473000    
 H   -1.612000       3.528500      0.2241000    
 H    2.680100       1.853000     -0.4722000    
 H    5.915400      -1.891700     -0.1010000    
 H   0.8449000       1.193200      0.8647000    
 H    2.762900      -2.925300      -1.311700    
 H    4.236100      -3.457800     -0.5089000    
 H    2.824900      -3.034500      0.4694000    
 H   -3.602600      -4.193200       1.982700    
 H   -4.862600       2.986500      -2.290300    
 H    7.356100       1.457600      0.1097000    
 H    7.678800     -0.2637000      0.1383000    
 H    5.857800       2.633800       1.825800    
 H    4.186300       3.239600       1.590400    
 H    5.575400       4.208900       1.052800    


%chk=000106545-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106545

0 1
S -2.576797 -4.182261 -0.243824
S -4.738839 3.588721 0.202238
O 0.265012 2.129953 0.198322
O -2.640520 -4.491748 1.588440
O -4.806300 3.880013 -1.633125
O -4.071303 -4.332222 -0.844399
O -1.349629 -5.032201 -0.866862
O -6.143170 2.937777 0.672311
O -4.180853 4.931607 0.910808
O 5.483181 2.307001 0.308417
N 0.964643 -0.245524 0.069138
N 1.912664 -1.162983 0.025438
N 7.302472 0.385886 0.195943
C -1.398077 0.332736 0.060345
C -2.793022 -0.050979 0.013329
C -0.381752 -0.699484 0.019250
C -2.106896 -2.369831 -0.102915
C -3.138411 -1.438847 -0.067224
C -3.817135 0.949853 0.046933
C -3.402922 2.272465 0.130171
C -1.046757 1.741138 0.148578
C -0.735934 -2.060437 -0.060128
C -2.065381 2.713370 0.181551
C 3.232121 -0.720172 0.074093
C 4.238323 -1.752954 0.015978
C 3.621792 0.661437 0.173202
C 5.590340 -1.374609 0.056549
C 5.988546 -0.012247 0.153779
C 4.965955 1.008653 0.212411
C 3.852252 -3.213566 -0.087493
C 4.518323 3.415104 0.377003
H -4.186003 -1.753121 -0.115765
H -4.876827 0.680540 0.023770
H 0.037968 -2.831091 -0.101620
H -1.810614 3.772963 0.262040
H 2.853634 1.435809 0.218031
H 6.365572 -2.147893 0.012271
H 0.836610 1.204358 0.154397
H 3.236876 -3.401295 -0.984295
H 4.747519 -3.855999 -0.134472
H 3.241066 -3.526326 0.777063
H -2.911898 -5.446439 1.723538
H -5.473425 4.609377 -1.795170
H 7.510784 1.381224 0.267373
H 8.063168 -0.287771 0.158017
H 3.875381 3.320598 1.271604
H 3.890930 3.445953 -0.532934
H 5.128437 4.326562 0.445897


