%chk=000178386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178386

0 1
 S    1.950600       2.080500     -0.2016000    
 P  -0.1269000      0.4544000      0.5930000    
 O   0.4224000       1.568800     -0.4637000    
 O  -4.5899998E-02  0.9464000       2.017800    
 O    2.885300       1.007000     -0.4704000    
 O    1.999300       2.854100       1.022400    
 N   -1.674200      0.1413000      7.4000001E-02
 N   0.7172000     -0.9342000      0.2788000    
 C   -2.362200     -0.9831000      0.7230000    
 C   -2.566300       1.302200     -4.7499999E-02
 C   0.8011000      -1.400300      -1.102500    
 C    1.968900      -1.146500       1.017600    
 C   -3.638200      -1.386000     -1.3400000E-02
 C   -3.849900      0.9724000     -0.8066000    
 C    1.077600      -2.904300      -1.167500    
 C    2.899200      -2.207800      0.4221000    
 C   -4.582700     -0.2022000     -0.1726000    
 C    2.105700      -3.377200     -0.1389000    
 C    2.019100       3.214500      -1.564200    
 H   -2.593900     -0.7253000       1.764000    
 H   -1.708600      -1.861300      0.7557000    
 H   -2.057200       2.107900     -0.5878000    
 H   -2.807000       1.692600      0.9492000    
 H    1.571600     -0.8517000      -1.655600    
 H  -0.1374000      -1.213500      -1.636400    
 H    1.651600      -1.530500       1.997600    
 H    2.521000     -0.2455000       1.280000    
 H   -4.143100      -2.190500      0.5332000    
 H   -3.379900      -1.784100      -1.002900    
 H   -3.607100      0.7318000      -1.849500    
 H   -4.505300       1.850400     -0.8255000    
 H    1.426400      -3.154100      -2.176800    
 H   0.1454000      -3.462900      -1.016400    
 H    3.593800      -2.564000       1.191400    
 H    3.507400      -1.764300     -0.3757000    
 H   -5.443200     -0.4864000     -0.7880000    
 H   -4.970900      9.3400002E-02  0.8098000    
 H    1.586300      -3.887500      0.6821000    
 H    2.777200      -4.116300     -0.5898000    
 H    3.004000       3.686100      -1.564900    
 H    1.870000       2.660500      -2.493000    
 H    1.242900       3.971100      -1.434600    


%chk=000178386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178386

0 1
S 1.888407 2.657547 -0.384779
P 0.056670 0.439344 1.019722
O 0.261989 1.770206 -0.217331
O 0.512284 0.903921 2.472908
O 3.067412 1.545177 -0.494767
O 2.032979 3.900744 0.632520
N -1.603192 0.163806 0.623927
N 0.900826 -0.943976 0.433805
C -2.222015 -1.182271 0.685882
C -2.574670 1.285938 0.616868
C 0.848705 -1.324130 -1.000188
C 2.160202 -1.337047 1.145659
C -3.171342 -1.382705 -0.515652
C -3.526326 1.142320 -0.590874
C 0.790200 -2.871878 -1.129796
C 2.706028 -2.653574 0.532449
C -4.217067 -0.243091 -0.587543
C 1.551490 -3.555666 0.043481
C 1.471727 3.319011 -2.117565
H -2.799336 -1.277094 1.633187
H -1.424604 -1.944051 0.699687
H -2.023446 2.239080 0.571355
H -3.162335 1.271892 1.561086
H 1.747041 -0.922284 -1.514150
H -0.033258 -0.851281 -1.466521
H 1.915753 -1.471602 2.213776
H 2.917777 -0.531468 1.066721
H -3.674705 -2.364760 -0.422791
H -2.573357 -1.400449 -1.448323
H -2.939101 1.269170 -1.520906
H -4.282231 1.950657 -0.557061
H 1.239999 -3.159105 -2.100186
H -0.261134 -3.216508 -1.145466
H 3.317403 -3.170004 1.294918
H 3.380934 -2.427171 -0.315460
H -4.852633 -0.360228 -1.485370
H -4.889519 -0.311553 0.292983
H 0.856563 -3.733991 0.886571
H 1.933433 -4.544016 -0.272832
H 2.350861 3.897011 -2.435528
H 1.288556 2.437727 -2.744201
H 0.577132 3.942256 -1.994314


