%chk=000172758.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172758

0 1
 S   -1.850000       3.875700       1.694900    
 S   -4.053600      -2.570200      0.3859000    
 S    4.994000      0.3186000       1.474000    
 O   -3.423600       3.643500       2.067100    
 O   -4.149100      -3.275700       1.853400    
 O   -1.065600       3.305500       2.778300    
 O   -1.676400       5.262800       1.298300    
 O    5.635100       1.799300       1.218400    
 O   -4.672900      -3.461000     -0.5789000    
 O   -4.501100      -1.195900      0.5192000    
 O    6.068300     -0.6582000       1.414000    
 O    4.141500      0.4187000       2.647600    
 N   -2.933100       4.403200      -1.090800    
 N    5.897600     -0.1989000      -1.391700    
 N   -2.183900      -4.962200      0.6367000    
 C   0.2939000     -0.2213000     -0.6220000    
 C  -0.5545000      0.9929000     -0.7445000    
 C  -0.3037000      -1.386400     -0.3200000    
 C    1.767400     -0.2151000     -0.8166000    
 C  -0.7782000       1.762700      0.3779000    
 C   -1.089400       1.311700      -1.974900    
 C   -1.573000       2.903400      0.2645000    
 C   -1.884400       2.452300      -2.088500    
 C   -1.741300      -1.440200     -0.1263000    
 C   0.4848000      -2.599500     -0.1906000    
 C   -2.126200       3.248200     -0.9688000    
 C   -2.344000      -2.597100      0.1763000    
 C  -7.2999999E-02  -3.783800      0.1148000    
 C    2.582200      1.5799999E-02  0.2721000    
 C   -1.563700      -3.865100      0.3315000    
 C    2.272100     -0.4389000      -2.080400    
 C    3.965000      2.3100000E-02  8.8299997E-02
 C    4.501200     -0.2006000      -1.179900    
 C    3.654700     -0.4315000      -2.264300    
 C   -2.462200       2.796400      -3.423200    
 C   0.7453000      -5.032200      0.2479000    
 H  -0.3393000       1.473500       1.328300    
 H  -0.8973000      0.6875000      -2.843900    
 H   -2.341700     -0.5477000     -0.2401000    
 H    1.558900      -2.591400     -0.3366000    
 H    2.142500      0.1901000       1.249800    
 H    1.622500     -0.6198000      -2.932200    
 H    4.058800     -0.6074000      -3.258000    
 H   -3.556400       2.801800      -3.379000    
 H   -2.103900       3.775800      -3.756900    
 H   -2.174400       2.069100      -4.190500    
 H    1.809700      -4.849500      6.5300003E-02
 H   0.4149000      -5.786100     -0.4739000    
 H   0.6533000      -5.445200       1.257800    
 H   -3.338100       4.658400      -1.980600    
 H   -3.133500       4.980300     -0.2862000    
 H    6.539900     -1.8700000E-02 -0.6331000    
 H    6.262400     -0.3607000      -2.321300    
 H   -1.542300      -5.755300      0.7125000    
 H   -3.674600       2.714700       2.282900    
 H   -3.747400      -2.767700       2.597100    
 H    4.984600       2.538800       1.167300    


%chk=000172758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172758

0 1
S -3.666579 1.946598 1.515077
S -4.339623 -2.225039 0.331499
S 5.200593 1.822853 -0.263027
O -4.912200 1.632393 0.285582
O -4.550285 -1.877231 2.090890
O -3.523865 0.618371 2.465206
O -4.040486 3.393196 2.140870
O 4.854143 2.996460 -1.667801
O -5.383507 -3.357896 -0.083237
O -4.453054 -0.756859 -0.438398
O 6.779361 1.418425 -0.339560
O 4.603841 2.462264 1.092407
N -2.565822 4.392179 -0.159572
N 6.018600 -0.629517 -2.104467
N -2.783399 -4.732953 1.292540
C 0.462696 -0.477810 -0.578972
C -0.214355 0.823531 -0.419539
C -0.285912 -1.666593 -0.336822
C 1.888107 -0.516123 -0.953651
C -1.285322 0.945183 0.510023
C 0.073585 1.977901 -1.218740
C -2.076940 2.089023 0.523083
C -0.662640 3.169849 -1.141232
C -1.736402 -1.613803 -0.367861
C 0.290566 -2.931942 0.097060
C -1.803637 3.254189 -0.253016
C -2.480369 -2.616067 0.189759
C -0.466395 -3.974686 0.603289
C 2.794477 0.478386 -0.503654
C -1.952874 -3.858890 0.741026
C 2.413773 -1.529508 -1.819643
C 4.139840 0.429766 -0.890103
C 4.695941 -0.578974 -1.740347
C 3.756716 -1.565386 -2.196421
C -0.314704 4.369261 -2.000083
C 0.176037 -5.244310 1.117775
H -1.504097 0.148808 1.226349
H 0.888353 1.923406 -1.949642
H -2.250686 -0.770837 -0.835871
H 1.382157 -3.027248 0.109493
H 2.457671 1.268819 0.176279
H 1.728480 -2.282161 -2.223837
H 4.116017 -2.352089 -2.869415
H -1.143828 4.643227 -2.682680
H -0.080819 5.258682 -1.381885
H 0.569434 4.162674 -2.623935
H 1.268700 -5.225234 0.973701
H -0.220127 -6.136542 0.594971
H -0.019201 -5.388104 2.198364
H -2.376639 5.194401 -0.754381
H -3.302314 4.456162 0.554929
H 6.690235 0.031258 -1.691666
H 6.349304 -1.373103 -2.714872
H -2.307581 -5.591781 1.635733
H -4.838609 0.609567 -0.002726
H -4.230918 -0.911481 2.263922
H 5.373365 3.835836 -1.494375


