%chk=000178599.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178599

0 1
 S  -0.2281000       2.186700      0.6582000    
 P   2.6699999E-02  0.7362000     -0.8290000    
 O   0.9601000       3.060100      0.3835000    
 N    1.421700     -3.5700001E-02 -0.1990000    
 N   -1.283700     -0.3018000     -0.4494000    
 C    2.676300      0.7016000     -0.4212000    
 C    1.568900      -1.453700     -0.5654000    
 C   -1.486400     -0.5506000      0.9872000    
 C   -2.550800      5.3500000E-02  -1.109100    
 C    3.838600      9.0999998E-02  0.3654000    
 C    2.699600      -2.125900      0.2171000    
 C   -2.514600      -1.657900       1.230100    
 C   -3.609500      -1.036400     -0.9261000    
 C    4.017200      -1.384800      3.7000000E-02
 C   -3.838900      -1.346500      0.5467000    
 C   -1.697100       3.064200      7.3899999E-02
 H    2.637000       1.746100     -0.1164000    
 H    2.930600      0.7028000      -1.490900    
 H    1.762900      -1.555500      -1.642500    
 H   0.6611000      -2.030200     -0.3520000    
 H   -1.865300      0.3312000       1.517300    
 H  -0.5598000     -0.8626000       1.485100    
 H   -2.396000      0.1776000      -2.189400    
 H   -2.973300      0.9887000     -0.7389000    
 H    3.655700      0.2088000       1.441100    
 H    4.764200      0.6320000      0.1374000    
 H    2.812600      -3.164100     -0.1152000    
 H    2.439100      -2.157700       1.282800    
 H   -2.676200      -1.784100       2.306900    
 H   -2.122100      -2.610800      0.8526000    
 H   -3.289800      -1.948300      -1.446600    
 H   -4.551300     -0.7195000      -1.388500    
 H    4.361400      -1.492400     -0.9988000    
 H    4.787400      -1.823500      0.6806000    
 H   -4.525100      -2.194100      0.6509000    
 H   -4.311800     -0.4855000       1.034800    
 H   -2.590900       2.613600      0.5078000    
 H   -1.749100       3.085900      -1.016800    
 H   -1.637200       4.094200      0.4374000    


%chk=000178599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178599

0 1
S -0.333833 2.301817 1.219462
P -0.613447 0.851189 -1.119981
O 0.921506 1.435208 1.970055
N 0.920792 0.008289 -1.006823
N -1.742281 -0.312538 -0.416913
C 2.143832 0.725566 -1.440416
C 1.186109 -1.356657 -0.508122
C -1.736833 -0.697227 1.022536
C -3.081422 -0.424876 -1.051120
C 3.189758 0.793041 -0.300922
C 2.202024 -1.344521 0.658704
C -2.250935 -2.142842 1.199254
C -3.608301 -1.873449 -0.935179
C 3.504599 -0.628973 0.224186
C -3.641207 -2.320079 0.545619
C 0.541568 3.820679 0.453691
H 1.866057 1.739397 -1.787877
H 2.575413 0.182754 -2.310928
H 1.611201 -1.943092 -1.354496
H 0.231961 -1.828647 -0.227947
H -2.400594 -0.004562 1.590384
H -0.721122 -0.572453 1.436663
H -3.003250 -0.124846 -2.112203
H -3.806443 0.262745 -0.555465
H 2.766668 1.388828 0.530265
H 4.108195 1.284658 -0.678043
H 2.413009 -2.386268 0.971486
H 1.755802 -0.795466 1.508759
H -2.294779 -2.379881 2.279714
H -1.532417 -2.847500 0.735529
H -2.943746 -2.542725 -1.515421
H -4.619157 -1.930278 -1.383980
H 4.009390 -1.221132 -0.569776
H 4.206279 -0.568442 1.076948
H -3.975037 -3.371779 0.625223
H -4.383636 -1.704005 1.094670
H -0.168065 4.327752 -0.220070
H 1.429794 3.472985 -0.092994
H 0.836645 4.479929 1.284129


