%chk=000178607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178607

0 1
 S   0.3159000      -2.375000       1.064400    
 P  -2.5900001E-02 -0.9140000     -0.4208000    
 O   -4.059500      0.9886000     -2.2299999E-02
 O    3.612800       1.542300      0.4593000    
 O  -8.1400000E-02  -1.603800      -1.762500    
 N   -1.417000     -0.1106000     -1.8000000E-03
 N    1.190900      0.2061000     -0.2756000    
 C   -1.771200       1.059800     -0.8163000    
 C   -2.610000     -0.9366000      0.2274000    
 C    1.385500      0.7967000       1.055500    
 C    2.491700     -0.1573000     -0.8536000    
 C   -2.923800       1.835600     -0.1910000    
 C   -3.741300     -0.1114000      0.8288000    
 C    2.362100       1.964900       1.000500    
 C    3.440100       1.035500     -0.8631000    
 C    1.831000      -3.220900      0.5711000    
 H   -2.048700      0.7261000      -1.823800    
 H  -0.9156000       1.735000     -0.9175000    
 H   -2.400700      -1.760900      0.9134000    
 H   -2.933000      -1.374100     -0.7254000    
 H    1.780100      4.3400001E-02   1.746800    
 H   0.4366000       1.158600       1.464000    
 H    2.362200     -0.5118000      -1.881500    
 H    2.953800     -0.9604000     -0.2770000    
 H   -2.641200       2.267700      0.7767000    
 H   -3.218400       2.660100     -0.8481000    
 H   -4.641100     -0.7271000      0.9265000    
 H   -3.483600      0.2599000       1.828200    
 H    1.965000       2.794500      0.4029000    
 H    2.547600       2.344400       2.010400    
 H    4.423300      0.7280000      -1.233300    
 H    3.075300       1.836000      -1.518200    
 H    1.914200      -3.265500     -0.5171000    
 H    1.814300      -4.242100      0.9612000    
 H    2.701300      -2.712700      0.9912000    


%chk=000178607-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178607

0 1
S 0.364156 -2.489046 1.505419
P 0.301220 -1.077846 -0.358964
O -3.785812 1.034296 0.151218
O 3.351850 2.323986 0.270852
O 0.647762 -1.895862 -1.700703
N -1.238327 -0.274539 -0.123852
N 1.406864 0.261348 -0.141608
C -1.543672 0.950267 -0.917955
C -2.462941 -1.072460 0.153227
C 1.443795 0.990745 1.150646
C 2.737849 0.166371 -0.794633
C -2.560259 1.796608 -0.130714
C -3.461012 -0.183392 0.914868
C 2.025794 2.395790 0.902338
C 3.270410 1.593239 -1.006848
C 1.001868 -4.019863 0.588596
H -1.974787 0.674950 -1.904203
H -0.611360 1.517466 -1.083680
H -2.195182 -1.952876 0.763884
H -2.924566 -1.420251 -0.795459
H 2.075541 0.446022 1.884827
H 0.419115 1.067265 1.556458
H 2.628349 -0.364369 -1.756124
H 3.449186 -0.399718 -0.154806
H -2.100231 2.138494 0.822602
H -2.885994 2.669499 -0.720782
H -4.421945 -0.704499 1.057795
H -3.032921 0.093622 1.902275
H 1.332002 2.977988 0.256553
H 2.180961 2.929623 1.854411
H 4.300160 1.575817 -1.399723
H 2.607925 2.140036 -1.711916
H 1.067455 -3.770616 -0.486070
H 0.284742 -4.838595 0.745530
H 1.993303 -4.280500 0.985939


