%chk=000041138.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041138

0 1
 S    2.798500       1.778500     -8.8999998E-03
 S    2.887400      -1.719500      9.7000003E-03
 S   -2.886600       1.428500     -2.2500001E-02
 O  -0.2293000       2.268400     -8.3700001E-02
 O  -0.1117000      -2.362800      8.5699998E-02
 N  -0.6585000     -5.9599999E-02  5.0000002E-04
 N   -2.877100      -1.156200      1.7600000E-02
 C    1.514900      0.6603000      2.6000000E-03
 C    1.548600     -0.6681000     -1.4000000E-03
 C   0.1041000       1.095900     -1.7999999E-02
 C   0.1617000      -1.174900      1.9500000E-02
 C    4.200900      0.7006000      0.4171000    
 C    4.232200     -0.5720000     -0.4200000    
 C   -2.090600     -9.6100003E-02  5.0000002E-04
 C   -4.399400      0.6204000     -1.0400000E-02
 C   -4.195100     -0.7433000      1.1700000E-02
 H    4.175100      0.4744000       1.489300    
 H    5.114900       1.275200      0.2334000    
 H    4.192500     -0.3476000      -1.492100    
 H    5.174700      -1.099500     -0.2385000    
 H   -5.334100       1.162400     -1.8900000E-02
 H   -4.980400      -1.487000      2.3600001E-02


%chk=000041138-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041138

0 1
S 2.884900 1.877166 -0.006140
S 2.929043 -1.832180 -0.003357
S -3.046199 1.594967 -0.039718
O -0.292713 2.340804 -0.062420
O -0.212809 -2.388184 0.055685
N -0.696787 -0.014772 -0.003816
N -2.853523 -1.089400 0.026817
C 1.544316 0.690386 -0.020588
C 1.559816 -0.680302 0.011296
C 0.129203 1.161117 -0.035188
C 0.153064 -1.200577 0.028064
C 4.296771 0.679147 0.425892
C 4.315303 -0.599352 -0.422425
C -2.100873 -0.005699 -0.001761
C -4.528957 0.575124 -0.011681
C -4.217202 -0.770673 0.021740
H 4.232761 0.452455 1.501276
H 5.205255 1.274895 0.233891
H 4.254995 -0.373885 -1.498277
H 5.236011 -1.173587 -0.223083
H -5.509147 1.046491 -0.022619
H -4.940527 -1.585938 0.043213


