%chk=000178602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178602

0 1
 S  -0.4549000       1.913800      0.4877000    
 P   7.1599998E-02  0.4401000     -0.9022000    
 O   0.5737000       2.958400      0.1696000    
 N    1.564200     -4.3299999E-02 -0.2115000    
 N   -1.051600     -0.7807000     -0.4701000    
 C    2.680100      0.8818000     -0.4680000    
 C    1.956600      -1.435200     -0.4860000    
 C   -1.238000     -0.9726000      0.9774000    
 C   -2.347000     -0.6869000      -1.162900    
 C    3.912900      0.5269000      0.3666000    
 C    3.168800      -1.856400      0.3481000    
 C   -2.068600      -2.221900       1.280200    
 C   -3.209400      -1.927900     -0.9213000    
 C    4.345300     -0.9142000      0.1340000    
 C   -3.412600      -2.182500      0.5660000    
 C   -2.039200       2.491400     -0.1648000    
 C   -2.452000       3.809400      0.4574000    
 H    2.458300       1.921000     -0.2303000    
 H    2.951900      0.8613000      -1.533200    
 H    2.186600      -1.567800      -1.552600    
 H    1.155400      -2.143700     -0.2451000    
 H   -1.771000     -0.1377000       1.447400    
 H  -0.2821000      -1.091800       1.502700    
 H   -2.188100     -0.6136000      -2.247500    
 H   -2.941900      0.1761000     -0.8779000    
 H    3.691300      0.6769000       1.430900    
 H    4.738000       1.202600      0.1135000    
 H    3.462600      -2.878500      8.3200000E-02
 H    2.896100      -1.867300       1.411200    
 H   -2.228100      -2.308100       2.361200    
 H   -1.513100      -3.115200      0.9675000    
 H   -2.729100      -2.802100      -1.379500    
 H   -4.181600      -1.805800      -1.412400    
 H    4.723500      -1.024400     -0.8897000    
 H    5.165600      -1.175500      0.8113000    
 H   -3.947400      -3.126500      0.7171000    
 H   -4.034000      -1.386400      0.9940000    
 H   -1.996600       2.580800      -1.253800    
 H   -2.805700       1.776800      0.1288000    
 H   -2.514300       3.733900       1.548300    
 H   -1.736100       4.602700      0.2174000    
 H   -3.433500       4.116300      8.2300000E-02


%chk=000178602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178602

0 1
S -1.141650 1.907583 0.884356
P -0.851750 0.223009 -1.279481
O 0.272761 1.533936 1.753525
N 0.853437 -0.115642 -1.042677
N -1.644158 -1.145208 -0.493961
C 1.830754 0.861661 -1.581490
C 1.487210 -1.246271 -0.332995
C -1.648547 -1.374755 0.976088
C -2.827634 -1.722100 -1.183729
C 2.750281 1.411769 -0.465200
C 2.399893 -0.755581 0.816829
C -1.713944 -2.886015 1.288788
C -2.899833 -3.246380 -0.934532
C 3.449830 0.246267 0.275780
C -2.921718 -3.546208 0.582668
C -0.676412 3.556748 -0.025762
C -0.138588 4.555202 1.003525
H 1.284661 1.680254 -2.088862
H 2.447369 0.346245 -2.351015
H 2.103727 -1.800686 -1.076913
H 0.704188 -1.933798 0.021129
H -2.537224 -0.872426 1.424431
H -0.757580 -0.904541 1.428040
H -2.753942 -1.508942 -2.265807
H -3.765604 -1.250047 -0.807347
H 2.131270 1.970216 0.261714
H 3.496743 2.097645 -0.912320
H 2.895927 -1.627943 1.286508
H 1.768747 -0.246857 1.569129
H -1.779783 -3.025029 2.385043
H -0.777394 -3.371019 0.948977
H -2.017636 -3.726520 -1.400760
H -3.804751 -3.653659 -1.426349
H 4.143412 -0.276240 -0.417941
H 4.061365 0.640982 1.108510
H -2.923614 -4.638219 0.760123
H -3.861681 -3.148081 1.018746
H 0.081056 3.299960 -0.784511
H -1.605750 3.885205 -0.523242
H -0.923295 4.867640 1.715131
H 0.678842 4.084397 1.579685
H 0.257619 5.457645 0.501167


