%chk=000005591.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005591

0 1
 S   -4.514700      -1.783900     -0.7418000    
 O    3.800100       1.478800     -0.5522000    
 O   0.4368000       2.824800     -0.1607000    
 O    4.571000      -3.832300      0.7548000    
 O   -7.201600      9.6000001E-02   1.293200    
 O   -6.276500      -3.681300      -1.197500    
 N   -6.927500      -1.861500      9.2699997E-02
 C    2.741100       2.234400      6.5600000E-02
 C    2.599400       1.901200       1.559600    
 C    2.350400      0.4153000       1.776400    
 C    3.291200     -0.3946000      0.9346000    
 C    3.943800      0.1721000     -0.1664000    
 C    1.441100       2.003400     -0.7197000    
 C    3.140900       3.710400     -7.6600000E-02
 C    3.501000      -1.748300       1.230900    
 C    4.820500     -0.5977000     -0.9365000    
 C    5.031600      -1.940200     -0.6261000    
 C    4.369300      -2.516600      0.4551000    
 C    2.803500      -2.394400       2.388300    
 C    5.541800      2.0800000E-02  -2.093800    
 C    5.970300      -2.765500      -1.447700    
 C  -0.8565000       2.363600     -0.2224000    
 C   -3.469200       1.433100     -0.3464000    
 C   -1.758600       2.723300      0.7695000    
 C   -1.241800       1.545300      -1.275600    
 C   -4.872600      0.9334000     -0.4131000    
 C   -5.049600     -0.3995000      0.3098000    
 C   -3.071300       2.255700      0.7072000    
 C   -2.554600       1.077800      -1.337900    
 C   -6.503100     -0.6646000      0.6317000    
 C   -6.056100      -2.608900     -0.6550000    
 H    1.806400       2.488100       2.037200    
 H    3.536600       2.164200       2.070800    
 H    1.316700      0.1603000       1.516400    
 H    2.491600      0.2046000       2.842500    
 H    1.184900      0.9370000     -0.6894000    
 H    1.586900       2.267900      -1.775100    
 H    4.120200       3.890000      0.3829000    
 H    3.245400       3.988000      -1.132000    
 H    2.417600       4.386300      0.3908000    
 H    2.833900      -3.487800       2.349900    
 H    3.267400      -2.080600       3.329100    
 H    1.740900      -2.129000       2.404000    
 H    6.609100      0.1172000      -1.868200    
 H    5.408400     -0.5796000      -3.000600    
 H    5.178300       1.020400      -2.350800    
 H    6.595000      -3.401800     -0.8102000    
 H    5.405900      -3.397300      -2.141400    
 H    6.685000      -2.178300      -2.029800    
 H    4.922500      -4.310200     -1.2800000E-02
 H   -5.526600       1.692000      3.9500002E-02
 H   -5.213300      0.8782000      -1.456500    
 H   -1.451100       3.362700       1.591800    
 H  -0.5701000       1.273800      -2.084000    
 H   -4.492000     -0.4380000       1.252500    
 H   -3.773100       2.537800       1.487600    
 H   -2.852500      0.4547000      -2.176600    
 H   -7.880400      -2.178600      0.2392000    


%chk=000005591-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005591

0 1
S -5.024655 -1.712980 -0.140091
O 3.834334 1.481192 -0.524422
O 0.333440 2.246804 0.445639
O 5.240601 -3.819555 0.752072
O -8.090217 0.842481 0.183668
O -6.946902 -3.619952 -0.730234
N -7.678810 -1.422077 -0.280101
C 2.760401 2.171672 0.251034
C 2.920334 1.858305 1.751704
C 2.860246 0.343215 2.028627
C 3.714067 -0.450940 1.049138
C 4.160818 0.141615 -0.160752
C 1.427419 1.645106 -0.334903
C 2.948685 3.661013 -0.055058
C 4.077592 -1.793912 1.340635
C 4.990184 -0.551484 -1.085311
C 5.365595 -1.887641 -0.785037
C 4.894852 -2.485205 0.417064
C 3.613026 -2.476871 2.613506
C 5.449781 0.141985 -2.357798
C 6.256168 -2.702769 -1.710712
C -0.982397 1.921835 0.083276
C -3.722765 1.400161 -0.484408
C -1.997835 2.528448 0.865222
C -1.330502 1.058572 -0.984304
C -5.188576 1.104769 -0.757445
C -5.766878 0.013655 0.185263
C -3.349127 2.265814 0.579811
C -2.694970 0.808217 -1.255443
C -7.290402 -0.114167 0.042905
C -6.708275 -2.435654 -0.437535
H 2.132255 2.385844 2.316460
H 3.899634 2.261674 2.071825
H 1.807506 -0.005899 1.990190
H 3.197726 0.147064 3.063401
H 1.377990 0.540546 -0.269573
H 1.349958 1.946936 -1.398185
H 3.896885 4.025781 0.375098
H 2.977030 3.828037 -1.146213
H 2.112084 4.241626 0.370306
H 3.882500 -3.543073 2.598132
H 4.079338 -2.022701 3.510136
H 2.517533 -2.393352 2.742029
H 6.551440 0.244369 -2.389523
H 5.145274 -0.420018 -3.261067
H 5.016185 1.150468 -2.419726
H 7.189105 -3.026903 -1.204856
H 5.742557 -3.611590 -2.088396
H 6.562057 -2.124288 -2.594748
H 5.784906 -4.224841 0.033409
H -5.805057 2.009956 -0.593722
H -5.340403 0.785594 -1.804372
H -1.705573 3.199500 1.678679
H -0.563381 0.584423 -1.602757
H -5.535037 0.269026 1.233766
H -4.127115 2.749814 1.183806
H -2.959087 0.136738 -2.080915
H -8.667840 -1.654283 -0.412391


