%chk=000171051.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171051

0 1
 S   -3.260300      0.1516000       1.126900    
 S   -5.488800      0.2854000     -0.5309000    
 O   -3.597300      -1.122500       1.733200    
 O   -3.533200       1.395100       1.822300    
 O   0.3981000      -3.446300      0.2062000    
 O   0.6190000       3.572800      0.4765000    
 O    2.315300      -2.436500     -0.1458000    
 O    2.470000       2.474600      4.4199999E-02
 N    2.565500      1.5000000E-02 -8.6999997E-02
 N    1.088900      -2.405400      0.1101000    
 N    1.243400       2.500900      0.2991000    
 N   -3.887200      0.2325000     -0.4656000    
 C    3.531700     -4.2900000E-02  0.9877000    
 C    3.024000      5.3500000E-02  -1.458100    
 C    1.179000      4.7499999E-02  0.2021000    
 C    4.891400     -0.4974000      0.4674000    
 C    1.846600      0.1903000      -2.417600    
 C   0.4584000      -1.143000      0.2977000    
 C   0.5344000       1.270000      0.3908000    
 C   -1.529500      0.1110000      0.7661000    
 C  -0.9068000      -1.111000      0.5820000    
 C  -0.8308000       1.302000      0.6751000    
 C    5.957600     -0.5319000       1.553600    
 C    2.279600      0.2808000      -3.874400    
 C   -5.611900      0.3588000      -2.337900    
 C   -5.757200      -1.504800     -0.4235000    
 H    3.198100     -0.7425000       1.764900    
 H    3.636700      0.9295000       1.480100    
 H    3.573500     -0.8555000      -1.727300    
 H    3.696500      0.9050000      -1.616600    
 H    4.825100      -1.499400      2.8400000E-02
 H    5.267600      0.1791000     -0.3078000    
 H    1.170400     -0.6685000      -2.342700    
 H    1.264000       1.095000      -2.216500    
 H   -1.488100      -2.026000      0.6512000    
 H   -1.353700       2.243400      0.8167000    
 H    6.101200      0.4606000       1.992500    
 H    5.676800      -1.224300       2.353500    
 H    6.914700     -0.8623000       1.137700    
 H    2.922300       1.151700      -4.037700    
 H    2.832300     -0.6153000      -4.173900    
 H    1.405700      0.3756000      -4.526700    
 H   -4.960500     -0.3818000      -2.810100    
 H   -6.648700      0.1722000      -2.629000    
 H   -5.324700       1.360200      -2.669000    
 H   -4.988500      -2.058800     -0.9691000    
 H   -5.765200      -1.810400      0.6246000    
 H   -6.737700      -1.736400     -0.8490000    


%chk=000171051-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171051

0 1
S -3.249732 0.035965 1.421894
S -5.772252 -0.045343 -0.117777
O -3.666148 -1.505725 1.829998
O -3.352704 1.199189 2.562207
O 0.014831 -3.065419 -1.460286
O 1.040410 3.209512 1.862558
O 2.051834 -2.754562 -0.481933
O 2.131682 2.868408 -0.109725
N 2.618575 0.066384 -0.348855
N 0.857200 -2.351970 -0.780815
N 1.343235 2.479135 0.840078
N -3.993297 0.437434 -0.235116
C 3.655328 0.609791 0.567212
C 3.116094 -0.422671 -1.660968
C 1.282770 0.051725 0.013462
C 4.722771 -0.452389 0.930941
C 2.191441 -0.088105 -2.852168
C 0.387787 -1.052271 -0.257756
C 0.670790 1.160864 0.715689
C -1.465021 0.052554 0.828951
C -0.974603 -1.035567 0.104433
C -0.662860 1.148740 1.162241
C 5.748416 0.127372 1.928687
C 2.871373 -0.456312 -4.188717
C -6.242346 0.866031 -1.693683
C -5.766536 -1.849544 -0.737382
H 3.170190 0.936982 1.503450
H 4.129977 1.502270 0.113274
H 3.325607 -1.510865 -1.626882
H 4.081022 0.093971 -1.821598
H 4.218476 -1.337514 1.361734
H 5.248095 -0.796802 0.020434
H 1.230518 -0.629665 -2.778983
H 1.954655 0.992778 -2.825745
H -1.604183 -1.901503 -0.119550
H -1.073800 1.997577 1.719027
H 6.262038 1.012863 1.509514
H 5.262324 0.435047 2.873139
H 6.519311 -0.623363 2.176917
H 3.808525 0.113128 -4.332938
H 3.117083 -1.533734 -4.229621
H 2.206482 -0.231183 -5.041059
H -5.418554 0.722926 -2.408124
H -7.192505 0.453058 -2.063881
H -6.342497 1.925058 -1.422357
H -5.212875 -1.876573 -1.687350
H -5.225192 -2.389711 0.053898
H -6.806035 -2.196772 -0.842065


