%chk=000178636.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178636

0 1
 S   -2.313000     -0.1719000     -0.3356000    
 P   0.4133000      0.1767000     -0.6307000    
 O  -0.9533000      0.5766000      0.1711000    
 O   0.2693000      0.4180000      -2.119200    
 O   -2.250900      -1.582900     -1.4000000E-02
 O   -2.661200      0.3004000      -1.660200    
 N    1.589900       1.076500      9.4599999E-02
 N   0.7399000      -1.385500     -0.2146000    
 C    2.989500      0.8294000     -0.2445000    
 C    1.445500       2.531500      0.1407000    
 C   0.7519000      -1.756700       1.200400    
 C    1.893500      -2.057000     -0.8085000    
 C    3.729100       1.864800      0.5779000    
 C    2.794900       3.063600      0.6029000    
 C    1.352500      -3.154700       1.253000    
 C    1.872000      -3.421400     -0.1503000    
 C   -3.411500      0.6016000      0.8232000    
 C   -4.799600     -1.3600000E-02  0.7250000    
 C   -3.451600       2.104400      0.5888000    
 H    3.181000      0.9420000      -1.316400    
 H    3.371400     -0.1139000      0.1258000    
 H   0.6444000       2.830000      0.8240000    
 H    1.208800       2.926400     -0.8543000    
 H  -0.2478000      -1.741100       1.642300    
 H    1.379500      -1.072400       1.782800    
 H    2.872500      -1.634200     -0.6388000    
 H    1.768100      -2.152800      -1.892200    
 H    4.706900       2.112200      0.1538000    
 H    3.888000       1.503700       1.602000    
 H    2.740300       3.488200       1.611000    
 H    3.149700       3.847800     -7.4800000E-02
 H   0.6077000      -3.906100       1.536100    
 H    2.167800      -3.194600       1.983800    
 H    2.856000      -3.900300     -0.1426000    
 H    1.179400      -4.087800     -0.6794000    
 H   -3.007100      0.3960000       1.821200    
 H   -5.480000      0.4445000       1.450500    
 H   -5.228000      0.1219000     -0.2741000    
 H   -4.771000      -1.089100      0.9287000    
 H   -4.102600       2.589200       1.324400    
 H   -3.836300       2.350300     -0.4069000    
 H   -2.459400       2.557100      0.6824000    


%chk=000178636-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178636

0 1
S -2.204597 -0.386643 1.069996
P 0.605598 0.382857 -0.288864
O -0.597306 0.573295 1.048353
O -0.048093 0.821643 -1.683540
O -2.541559 -0.581196 2.637265
O -2.045744 -1.704716 0.134296
N 1.811408 1.339401 0.473630
N 1.248075 -1.208598 -0.313134
C 3.262658 1.221205 0.151086
C 1.495633 2.598487 1.215009
C 1.632685 -1.921570 0.946093
C 0.855588 -2.172344 -1.394748
C 3.902265 2.251486 1.109790
C 2.835727 3.373942 1.187726
C 1.771917 -3.394375 0.492292
C 0.728519 -3.519270 -0.647536
C -3.438013 0.982709 0.247488
C -4.814793 0.716111 0.850118
C -3.291984 0.857372 -1.261344
H 3.464614 1.487389 -0.907354
H 3.627733 0.193366 0.321699
H 1.178314 2.359203 2.246249
H 0.676891 3.158241 0.726460
H 0.840132 -1.815761 1.713163
H 2.571848 -1.514672 1.363310
H 1.647983 -2.205090 -2.166959
H -0.088279 -1.859591 -1.870803
H 4.878374 2.609079 0.739731
H 4.052186 1.797327 2.106333
H 2.957060 4.020239 2.073550
H 2.890632 4.010447 0.285474
H 1.586797 -4.094445 1.324574
H 2.790948 -3.580051 0.104332
H 0.918930 -4.381979 -1.308414
H -0.288021 -3.607918 -0.226158
H -2.954601 1.886378 0.657818
H -5.495355 1.526081 0.524449
H -5.234332 -0.242184 0.497556
H -4.786865 0.710537 1.952706
H -3.878271 1.675742 -1.724238
H -3.694142 -0.103477 -1.625605
H -2.241063 0.958143 -1.592545


