%chk=000176984.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176984

0 1
 S  -0.3376000      0.9648000     -0.7821000    
 O   0.1136000      0.1835000      -1.927000    
 O  -0.3696000       2.419400     -0.8738000    
 O    1.092200      -2.355100      0.2404000    
 O    3.166900      -2.995800     -8.2199998E-02
 N   0.5670000      0.4905000      0.6007000    
 N    2.910500       1.409400      0.4112000    
 N    4.078000     -0.4495000      7.3899999E-02
 N    2.319500      -2.080100      0.1183000    
 N   -5.789200     -0.8705000      0.7247000    
 C    2.030400      0.3880000      0.4121000    
 C   -1.938200      0.4257000     -0.3395000    
 C    2.744700     -0.7470000      0.2055000    
 C   -2.797200       1.282600      0.3486000    
 C   -2.358100     -0.8618000     -0.6741000    
 C    4.143700      0.8571000      0.2023000    
 C    2.631700       2.814000      0.5907000    
 C   -4.075900      0.8521000      0.7025000    
 C   -3.636900      -1.292200     -0.3202000    
 C   -4.495700     -0.4352000      0.3681000    
 H   0.3598000       1.062300       1.431800    
 H   -2.488800       2.286700      0.6259000    
 H   -1.703500      -1.547900      -1.204200    
 H    5.046900       1.450000      0.1520000    
 H    3.536500       3.316000      0.9436000    
 H    2.325600       3.226900     -0.3732000    
 H    1.838800       2.932800       1.332800    
 H   -4.735400       1.528600       1.240100    
 H   -3.952000      -2.298200     -0.5853000    
 H   -6.411800     -0.2505000       1.225300    
 H   -6.093300      -1.804500      0.4839000    


%chk=000176984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176984

0 1
S -0.490417 1.370255 -0.527674
O 0.250007 0.767045 -1.845755
O -0.711175 2.985781 -0.338353
O 0.435506 -1.849003 0.331352
O 2.342073 -3.114554 0.423558
N 0.829052 0.981360 1.068616
N 3.180977 1.355957 0.360564
N 3.838803 -0.775699 -0.090046
N 1.731249 -1.982771 0.349316
N -5.791944 -1.334142 0.441614
C 2.046542 0.541160 0.611319
C -2.099160 0.518993 -0.218781
C 2.511105 -0.769991 0.295059
C -3.130056 1.270101 0.381596
C -2.247416 -0.832506 -0.587718
C 4.216631 0.517452 -0.034904
C 3.209481 2.821108 0.474410
C -4.369183 0.647972 0.596448
C -3.490418 -1.444178 -0.372622
C -4.568336 -0.718982 0.225699
H 0.844560 1.952290 1.441245
H -2.966754 2.320120 0.643668
H -1.413620 -1.387628 -1.024509
H 5.213840 0.882372 -0.271077
H 4.131246 3.195875 0.003815
H 2.343131 3.259034 -0.051637
H 3.197915 3.142081 1.531342
H -5.190491 1.215513 1.048357
H -3.629211 -2.494068 -0.653235
H -6.562482 -0.831541 0.873684
H -5.938856 -2.307306 0.187450


