%chk=000051710.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051710

0 1
 S    4.899100     -0.7536000     -0.5006000    
 O   -4.317800       2.343900       1.729000    
 O   -4.854600       3.000400     -0.5267000    
 O   -1.660400      -2.877400      -2.051300    
 N    2.516000      -2.712800     -2.7500000E-02
 N   0.3990000      -2.787500      -1.013300    
 N   0.6128000      -2.283200       1.274200    
 N    3.754100       3.686100     -0.7789000    
 N    5.439000       2.627700      0.2076000    
 C   -3.075000      -2.232100      0.3534000    
 C   -3.556200     -0.8322000      8.0100000E-02
 C   -1.589300      -2.356600      0.2671000    
 C   -3.683300      6.1999999E-02   1.137300    
 C   -4.128000       1.333300      0.8375000    
 C   -4.434600       1.708300     -0.4506000    
 C   -3.865400     -0.4613000      -1.233600    
 C    3.431800      -2.531400       1.056400    
 C   -4.313600      0.8327000      -1.509900    
 C  -0.9805000      -2.697400      -1.046100    
 C    1.161400      -2.581500      0.1293000    
 C    4.838700      -2.236600      0.5514000    
 C  -0.7541000      -2.180700       1.301900    
 C    4.383400      0.4607000      0.7338000    
 C    4.331100       1.838300      0.1588000    
 C   -4.777600       3.397200      0.8577000    
 C    3.273800       2.452700     -0.4394000    
 C    1.892500       2.036000     -0.7268000    
 C    5.057700       3.744900     -0.3708000    
 H   -3.567300      -2.939300     -0.3269000    
 H   -3.417900      -2.541100       1.350800    
 H   -3.445800     -0.2183000       2.157500    
 H   -3.769400      -1.170400      -2.050900    
 H    3.099000      -1.756100       1.753300    
 H    3.466300      -3.458900       1.641000    
 H   -4.558000       1.131500      -2.522900    
 H    5.204500      -3.076900     -4.8999999E-02
 H    5.530400      -2.112500       1.391000    
 H    2.890200      -2.971900     -0.9356000    
 H   -1.159700      -1.931100       2.278000    
 H   0.8816000      -3.017300      -1.877000    
 H    5.085600      0.4430000       1.574100    
 H    3.389200      0.2199000       1.119100    
 H   -4.090400       4.246900      0.9415000    
 H   -5.773200       3.715900       1.187400    
 H    3.242100       4.423000      -1.245500    
 H    1.857100      0.9876000      -1.040300    
 H    1.268000       2.144500      0.1657000    
 H    1.447900       2.635900      -1.527600    
 H    5.668100       4.623500     -0.5234000    


%chk=000051710-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051710

0 1
S 5.541375 -0.604465 -0.231090
O -4.263521 2.244958 1.941641
O -3.676937 3.778495 0.193622
O -0.666405 -1.735130 -2.891964
N 3.003626 -2.323460 -0.031166
N 1.106674 -2.191552 -1.442735
N 0.850451 -2.452013 0.924132
N 0.910679 1.131225 -0.725745
N 2.897112 0.888641 -1.769003
C -2.612327 -1.803991 -0.656335
C -2.915422 -0.310548 -0.488760
C -1.125020 -2.086085 -0.514662
C -3.503968 0.167799 0.719631
C -3.722998 1.543017 0.832079
C -3.378100 2.445039 -0.196258
C -2.573254 0.605227 -1.521680
C 3.606072 -2.123385 1.297103
C -2.797219 2.005459 -1.389202
C -0.283704 -1.989836 -1.702622
C 1.638697 -2.332051 -0.165147
C 5.109190 -1.818436 1.165793
C -0.511352 -2.343509 0.710089
C 4.487621 0.952665 0.194610
C 3.103729 0.965759 -0.372988
C -4.451187 3.638670 1.455410
C 1.874745 1.112111 0.296350
C 1.506008 1.225973 1.747405
C 1.566250 0.990462 -1.942037
H -2.938167 -2.139800 -1.657395
H -3.174302 -2.385526 0.097071
H -3.779762 -0.515850 1.527954
H -2.143539 0.208262 -2.448274
H 3.085758 -1.295481 1.816454
H 3.458376 -3.025510 1.918675
H -2.546296 2.704715 -2.191306
H 5.682994 -2.720415 0.890145
H 5.499466 -1.429983 2.120637
H 3.578408 -1.956905 -0.806496
H -1.122528 -2.444935 1.615712
H 1.720350 -2.083149 -2.258294
H 5.100515 1.755850 -0.248091
H 4.497443 1.069266 1.291031
H -4.047642 4.336817 2.204052
H -5.524325 3.803341 1.240614
H -0.103573 1.196882 -0.601645
H 2.410054 1.348405 2.367020
H 0.854627 2.099117 1.938542
H 0.974876 0.321956 2.103010
H 1.044754 0.949703 -2.895591


