%chk=000002159.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002159

0 1
 S   -3.914800      -1.545400      0.2370000    
 O    1.181600       1.579400      -1.461600    
 O  -0.4349000       3.206300     -0.1724000    
 O   -3.090400      -2.703500     -6.9799997E-02
 O   -4.655300      -1.491400       1.488200    
 N    4.924600     -0.8800000     -0.1001000    
 N    1.215200     -0.5629000     -0.5711000    
 N   -4.713200       1.321700      0.8980000    
 C    3.537200     -0.4786000      0.1708000    
 C    3.231000      -1.196700       1.486800    
 C    4.584800      -1.403500       2.156900    
 C    5.599800     -0.8039000       1.197900    
 C    2.565000     -0.8798000     -0.9315000    
 C    5.584100     -4.3200001E-02  -1.095200    
 C    7.034400     -0.4394000      -1.280100    
 C   0.6212000      0.6609000     -0.8695000    
 C  -0.7777000      0.8439000     -0.4042000    
 C   -2.900100     -0.1226000      0.1229000    
 C   -1.583300     -0.2739000     -0.3117000    
 C   -1.233500       2.105800     -7.9999998E-02
 C   -3.383900       1.142700      0.4557000    
 C   -2.550500       2.256900      0.3543000    
 C   -5.095000      -1.346200      -1.076900    
 C   -6.067500      -2.503200      -1.128800    
 C   0.3212000       3.556800      0.9846000    
 H    3.477600      0.6053000      0.3477000    
 H    2.565300     -0.5992000       2.119500    
 H    2.753700      -2.171600       1.328800    
 H    4.768100      -2.475400       2.297200    
 H    4.628500     -0.9244000       3.140200    
 H    6.532200      -1.376500       1.227500    
 H    5.812000      0.2334000       1.487900    
 H    2.604900      -1.958800      -1.120500    
 H    2.806400     -0.3702000      -1.870400    
 H    5.081400     -0.1588000      -2.061900    
 H    5.530700       1.020100     -0.8294000    
 H   0.7203000      -1.251900     -1.4800000E-02
 H    7.650200     -0.1858000     -0.4115000    
 H    7.136000      -1.511600      -1.479900    
 H    7.457300      9.5500000E-02  -2.137600    
 H   -1.224500      -1.252800     -0.6096000    
 H   -2.921800       3.246400      0.6116000    
 H   -4.534000      -1.282800      -2.014600    
 H   -5.641800     -0.4128000     -0.9299000    
 H   -6.637600      -2.583500     -0.1978000    
 H   -5.545700      -3.453100      -1.283500    
 H   -6.776900      -2.367700      -1.951100    
 H   -5.312900      0.5312000       1.085400    
 H   -5.034700       2.249600       1.141900    
 H   0.9704000       2.731100       1.293000    
 H   0.9467000       4.418600      0.7366000    
 H  -0.3469000       3.834200       1.806000    


%chk=000002159-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002159

0 1
S -4.222822 -1.508068 0.192043
O 1.183774 1.255602 -1.273678
O -0.705003 3.415157 0.292918
O -3.278017 -2.826337 0.412246
O -5.544248 -1.248639 1.158310
N 4.913334 -0.694051 -0.012709
N 1.126410 -0.510274 0.237952
N -5.061038 1.492850 0.694040
C 3.616556 -0.343720 0.642815
C 3.754575 -0.840101 2.114864
C 5.012670 -1.751122 2.102314
C 5.894440 -1.081430 1.029979
C 2.456785 -1.011119 -0.146771
C 5.380303 0.273764 -1.027015
C 6.484724 -0.301240 -1.933142
C 0.559397 0.595648 -0.377858
C -0.855305 0.898582 0.036873
C -3.138926 0.016126 0.257370
C -1.769345 -0.185459 0.069678
C -1.403882 2.214064 0.234848
C -3.708366 1.312638 0.467337
C -2.791070 2.394880 0.443225
C -4.908969 -1.586480 -1.630618
C -5.912202 -2.731151 -1.717396
C 0.744345 3.474639 0.550214
H 3.438847 0.756247 0.622115
H 3.918970 0.017523 2.792718
H 2.850779 -1.369700 2.468179
H 4.750919 -2.775691 1.781803
H 5.508730 -1.811303 3.086151
H 6.660520 -1.764181 0.621376
H 6.423926 -0.192577 1.461500
H 2.493344 -2.105701 -0.000132
H 2.594811 -0.800664 -1.221089
H 4.510958 0.558749 -1.648994
H 5.749702 1.216478 -0.543691
H 0.634921 -0.945945 1.019871
H 7.400239 -0.539418 -1.361718
H 6.132732 -1.227306 -2.421016
H 6.758442 0.428894 -2.716682
H -1.414625 -1.209454 -0.098930
H -3.139501 3.414664 0.635009
H -4.000813 -1.725677 -2.238270
H -5.345350 -0.586134 -1.785840
H -6.744051 -2.582421 -1.007656
H -5.431199 -3.700431 -1.501694
H -6.330867 -2.772518 -2.739938
H -5.621932 0.671022 0.967550
H -5.421264 2.430245 0.854947
H 1.306739 3.258671 -0.371149
H 0.917614 4.504487 0.898186
H 1.034188 2.756082 1.340555


