%chk=000028740.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028740

0 1
 S    5.839400       1.523600      -1.441800    
 O  -0.3303000      0.8859000       2.104100    
 O   -4.521600      -2.399100     -0.3725000    
 O   -4.540400       2.389100     -0.2582000    
 O   -5.809000      2.9000000E-03 -0.8666000    
 N    1.652900     -0.6947000       1.032300    
 N    4.244900     -0.1382000     -3.0900000E-02
 N    6.618700     -0.5390000     -9.2299998E-02
 C    2.585700      -1.789900      0.7391000    
 C    1.841800      0.3942000      6.6200003E-02
 C    4.037200      -1.312700      0.8254000    
 C    3.269000      0.9441000      0.1290000    
 C   0.2719000      -1.175000       1.000600    
 C    5.551800      0.1596000     -0.4328000    
 C  -0.6598000     -2.9800000E-02   1.353100    
 C   -2.030600     -2.1199999E-02  0.7606000    
 C   -2.639600       1.190400      0.5288000    
 C   -2.630700      -1.224900      0.4719000    
 C    7.515600       1.161200      -1.426200    
 C    7.738500      3.5399999E-02 -0.6614000    
 C   -3.912000      -1.216500     -7.9800002E-02
 C   -3.920800       1.198700     -2.2700001E-02
 C   -4.557000     -4.6999999E-03 -0.3269000    
 C   -4.308800      -2.932000      -1.678200    
 C   -5.336500       2.925200      0.7967000    
 C   -5.970300      0.6673000      -2.117600    
 H    2.448600      -2.603000       1.462300    
 H    2.395000      -2.205500     -0.2597000    
 H    1.635800      4.0100001E-02 -0.9536000    
 H    1.175400       1.243500      0.2454000    
 H    4.687200      -2.141000      0.5180000    
 H    4.291500      -1.057500       1.862100    
 H    3.338300       1.705500     -0.6538000    
 H    3.437400       1.445100       1.091100    
 H   0.1222000      -1.960700       1.750000    
 H   3.0700000E-02  -1.573500      8.2000000E-03
 H   -2.147300       2.131200      0.7580000    
 H   -2.152500      -2.177800      0.6754000    
 H    8.233800       1.767500      -1.959300    
 H    8.707500     -0.4115000     -0.4849000    
 H   -4.863700      -3.870600      -1.759600    
 H   -4.676700      -2.240900      -2.442900    
 H   -3.246000      -3.138800      -1.839000    
 H   -4.718900       3.128700       1.677100    
 H   -5.774200       3.865700      0.4513000    
 H   -6.146900       2.237000       1.056800    
 H   -5.043800      0.6818000      -2.702200    
 H   -6.726300      0.1237000      -2.692100    
 H   -6.335600       1.685400      -1.957400    


%chk=000028740-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028740

0 1
S 6.818806 1.568304 -0.611520
O -0.276398 1.601202 0.750579
O -4.085246 -2.714242 -1.100434
O -5.401588 1.762676 0.424939
O -6.163079 -0.768303 -0.472115
N 1.813239 -0.290480 0.471154
N 4.654024 0.057860 0.411145
N 6.850257 -0.917126 0.433680
C 2.711951 -1.468521 0.556978
C 2.416447 0.767925 -0.375591
C 4.061513 -1.063564 1.174074
C 3.765516 1.217834 0.214383
C 0.443839 -0.651560 0.089765
C 6.005550 0.078814 0.169647
C -0.604426 0.449562 0.339414
C -2.041308 0.113452 0.071005
C -3.011123 1.116653 0.338123
C -2.455731 -1.144293 -0.419921
C 8.370324 0.634637 -0.525087
C 8.158091 -0.605330 0.042944
C -3.825582 -1.415565 -0.650542
C -4.374526 0.851333 0.130914
C -4.809168 -0.420439 -0.372257
C -5.278308 -3.015521 -1.913025
C -5.014374 3.030597 1.055933
C -7.045091 0.090968 -1.295192
H 2.242416 -2.233183 1.203645
H 2.894195 -1.927885 -0.447946
H 2.577004 0.404786 -1.423335
H 1.734851 1.632680 -0.394981
H 4.776861 -1.900605 1.157669
H 3.901018 -0.748949 2.226165
H 4.241994 1.937894 -0.473072
H 3.583178 1.724347 1.184507
H 0.140294 -1.538595 0.679626
H 0.357404 -0.956015 -0.988727
H -2.652189 2.074703 0.723855
H -1.749745 -1.945486 -0.653395
H 9.290255 1.078957 -0.896286
H 8.939439 -1.349624 0.204964
H -5.080228 -4.018206 -2.323240
H -6.189281 -3.016244 -1.295619
H -5.389771 -2.288508 -2.740302
H -4.372632 3.633152 0.385630
H -5.961786 3.557584 1.240820
H -4.488941 2.851738 2.012629
H -6.708967 0.081182 -2.350724
H -8.042173 -0.367198 -1.212951
H -7.055302 1.120902 -0.906823


