%chk=000055246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055246

0 1
 S   0.7880000      -1.386900     -0.8016000    
 O    2.076700      -1.059800      0.1083000    
 O   -2.328500      0.8673000     -0.1824000    
 O   0.1874000      -2.694500     -0.3792000    
 O   -2.147000      -1.372700     -0.7232000    
 N  -0.2208000     -6.6100001E-02 -0.4640000    
 N    4.329500      0.8255000       1.077000    
 C    4.276600      -1.591500      0.9359000    
 C    3.123600      -2.016900      3.3500001E-02
 C    4.874100     -0.2696000      0.5189000    
 C   -5.722900      0.1721000      0.9924000    
 C    5.913700     -0.2690000     -0.3849000    
 C   -3.717000      0.6979000     -0.1823000    
 C   -4.338100      0.3405000      0.9926000    
 C   -6.448700      0.3660000     -0.1829000    
 C   -4.405300      0.8961000      -1.357600    
 C    6.441800      0.9648000     -0.7483000    
 C   -5.790000      0.7279000      -1.357900    
 C   -1.605400     -0.2953000     -0.4783000    
 C   -6.427500     -0.2145000       2.248500    
 C   0.3561000       1.243400     -0.1640000    
 C    4.868700       2.006500      0.6997000    
 C    5.915000       2.129000     -0.2001000    
 H    5.051200      -2.367400      0.9495000    
 H    3.912800      -1.490900       1.966600    
 H    3.469400      -2.109100      -1.004100    
 H    2.758400      -2.995300      0.3691000    
 H    6.314500      -1.183900     -0.8068000    
 H   -3.761300      0.1917000       1.900800    
 H   -7.527700      0.2362000     -0.1963000    
 H   -3.892100       1.178400      -2.271500    
 H   -6.355000      0.8786000      -2.273100    
 H    7.261900       1.019200      -1.457900    
 H   -6.488300      -1.304700       2.324600    
 H   -7.442400      0.1966000       2.274800    
 H   -5.903500      0.1700000       3.130100    
 H  -0.3379000       2.052200     -0.4055000    
 H    1.270000       1.391500     -0.7474000    
 H   0.5877000       1.280400      0.9045000    
 H    4.421700       2.884100       1.154900    
 H    6.310600       3.101700     -0.4693000    


%chk=000055246-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055246

0 1
S 1.201584 -2.415441 2.612890
O 2.234627 -2.460904 1.020529
O -1.298001 0.472561 1.439723
O 2.262367 -2.091162 3.800649
O -1.073640 -1.840561 0.918363
N 0.289358 -0.778055 2.488595
N 1.927530 0.759688 -0.079489
C 3.783291 -0.455155 0.972588
C 3.619745 -1.981364 1.169566
C 3.101761 0.079260 -0.273258
C -4.118972 0.369845 -1.097535
C 3.638590 -0.132437 -1.569264
C -2.375123 0.802559 0.556769
C -3.062595 -0.106653 -0.275089
C -4.458016 1.744573 -1.067944
C -2.708988 2.175754 0.593368
C 2.943854 0.359048 -2.695191
C -3.756739 2.639965 -0.225731
C -0.723864 -0.806348 1.542122
C -4.874197 -0.605439 -1.984870
C 0.827331 0.408124 3.152845
C 1.262655 1.228016 -1.176853
C 1.727195 1.052577 -2.498868
H 4.872178 -0.251750 0.932756
H 3.379164 0.078447 1.848299
H 4.152579 -2.551057 0.384753
H 4.024263 -2.271813 2.161313
H 4.583526 -0.674336 -1.687591
H -2.780877 -1.161242 -0.286396
H -5.271441 2.115353 -1.702005
H -2.151724 2.844846 1.255440
H -4.026565 3.701519 -0.207392
H 3.341698 0.205729 -3.704163
H -4.180945 -1.218629 -2.588911
H -5.556741 -0.079953 -2.674623
H -5.480996 -1.305162 -1.379270
H 0.038764 0.890053 3.755303
H 1.223715 1.110537 2.398986
H 1.636670 0.072521 3.830749
H 0.324471 1.758414 -0.975862
H 1.152505 1.447570 -3.342202


