%chk=000175208.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000175208

0 1
 S  -0.3815000      -4.023900      0.3335000    
 O   -1.561400       2.612300      0.5248000    
 O   -4.953100      -1.329300     -0.7017000    
 O  -0.3354000      -4.490800      -1.230700    
 O   0.9911000      -3.984200      0.8098000    
 O   -1.386700      -4.819200       1.017000    
 O    6.383900     -6.5099999E-02  -1.605000    
 O    8.962500      0.3106000      -1.527600    
 N   0.4204000      0.9662000      0.9383000    
 N   -3.162100      -3.165200     -0.3564000    
 N    5.975400       1.230100      0.3209000    
 C   -1.858300      0.2753000      0.2652000    
 C   -2.743900     -0.7556000     -5.5599999E-02
 C  -0.5326000     -2.2700001E-02  0.6027000    
 C   -2.303700      -2.084600     -3.9099999E-02
 C  -0.9818000      -2.377100      0.2975000    
 C   -3.710700       1.982200     -0.1059000    
 C   -4.596500      0.9512000     -0.4264000    
 C   -2.309200       1.681900      0.2512000    
 C   -4.145400     -0.4553000     -0.4131000    
 C  -9.8099999E-02  -1.348400      0.6177000    
 C   -4.150900       3.311100     -0.1222000    
 C   -5.922400       1.249200     -0.7632000    
 C    1.816300       1.032500      0.7833000    
 C   -5.472900       3.603600     -0.4583000    
 C   -6.356700       2.574900     -0.7784000    
 C    2.589700       1.760200       1.691200    
 C    2.436700      0.3710000     -0.2794000    
 C    4.590400       1.164300      0.4749000    
 C    3.974600       1.825900       1.537300    
 C    3.821500      0.4367000     -0.4334000    
 C    6.765000      0.6373000     -0.6736000    
 C    8.235900      0.9448000     -0.4953000    
 H   0.9208000      -1.581600      0.9108000    
 H   2.5100000E-02   1.765800       1.424000    
 H   -3.483500       4.133000      0.1229000    
 H   -6.633100      0.4673000      -1.016900    
 H   -2.825100      -4.117000     -0.3711000    
 H   -4.126100      -2.995900     -0.6058000    
 H   -5.813800       4.634900     -0.4708000    
 H   -7.385500       2.805500      -1.039800    
 H    2.122200       2.279700       2.523900    
 H    1.861400     -0.1815000      -1.017600    
 H    4.561300       2.396300       2.252800    
 H    4.225000     -9.5799997E-02  -1.283200    
 H   0.2659000      -3.967300      -1.811100    
 H    6.465400       1.780700       1.022900    
 H    8.407400       2.024400     -0.5361000    
 H    8.577800      0.5557000      0.4679000    
 H    8.712600      0.7354000      -2.366000    


%chk=000175208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000175208

0 1
S -0.256394 -4.031377 0.108905
O -1.579129 2.720630 0.454013
O -5.160614 -1.397347 -0.433412
O 0.045637 -4.079527 -1.723265
O 1.164597 -4.036262 0.875754
O -1.372196 -5.161015 0.463865
O 6.724049 -0.245041 -1.285720
O 9.339803 0.242509 -1.029548
N 0.393206 1.105040 0.487151
N -3.278859 -3.151956 -0.262488
N 6.074990 1.332879 0.339102
C -1.916686 0.342184 0.139533
C -2.855883 -0.735744 -0.054701
C -0.506427 0.069263 0.298458
C -2.412137 -2.114515 -0.084628
C -0.999877 -2.309551 0.120360
C -3.827266 2.017655 -0.000400
C -4.749377 0.954969 -0.217372
C -2.391899 1.735786 0.206703
C -4.292043 -0.455972 -0.241686
C -0.077557 -1.295363 0.299860
C -4.290441 3.359183 0.024737
C -6.124572 1.245649 -0.408691
C 1.809039 1.077070 0.433921
C -5.655386 3.638712 -0.168423
C -6.575557 2.578342 -0.386005
C 2.518758 1.998693 1.252425
C 2.549449 0.243902 -0.448857
C 4.654327 1.215203 0.333737
C 3.919467 2.068700 1.199785
C 3.954755 0.301115 -0.497536
C 7.002425 0.640975 -0.419000
C 8.479727 1.005176 -0.155953
H 0.968146 -1.549579 0.497708
H -0.103766 2.026619 0.606376
H -3.559933 4.155049 0.196754
H -6.809908 0.408773 -0.571853
H -2.953635 -4.120876 -0.168541
H -4.272178 -2.881922 -0.391648
H -6.010182 4.674642 -0.151114
H -7.637775 2.799146 -0.535399
H 1.962989 2.650597 1.934632
H 2.030625 -0.425009 -1.142351
H 4.445276 2.786101 1.842702
H 4.513334 -0.338760 -1.182799
H 0.441431 -4.972786 -1.945884
H 6.453217 2.024726 0.992531
H 8.632425 2.090406 -0.333939
H 8.727909 0.787843 0.904799
H 8.741996 -0.355435 -1.565799


