%chk=000001077.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001077

1 1
 S   -1.997700      -1.106300      -1.597600    
 O    1.013500      -1.334800     -0.8738000    
 O   0.2709000      -3.193900       2.103000    
 O    3.202700      -3.349200       1.090600    
 O   -4.809100      0.5954000       1.695200    
 O   -6.891900       1.951300       1.259200    
 O   -6.623300       1.694500      -1.005000    
 N    3.162900     -0.4669000     -0.4006000    
 N    4.969200      0.8313000     -0.5631000    
 N    1.510000       1.198200      0.2295000    
 N    2.506600       3.420000      0.3930000    
 N    4.827100       3.821700     -3.2000002E-02
 C   6.9600001E-02  -1.897000      5.3599998E-02
 C   0.8242000      -2.970700      0.8202000    
 C    2.204000      -2.358200      0.9239000    
 C    2.341500      -1.675300     -0.4309000    
 C   -1.131500      -2.430500     -0.7064000    
 C    2.748000      0.7999000     -9.9500000E-02
 C   -2.968500     -0.5221000     -0.1897000    
 C    4.504500     -0.3959000     -0.6713000    
 C   -3.282100      -2.156700      -2.313900    
 C    3.882100       1.589000     -0.2063000    
 C   -4.225900      0.2052000     -0.6440000    
 C    3.730200       2.947100      5.4200001E-02
 C   -5.051000      0.7398000      0.5062000    
 C    1.487600       2.529300      0.4586000    
 C   -6.273800       1.534600      0.1468000    
 H  -0.2433000      -1.097500      0.7371000    
 H   0.8522000      -3.923700      0.2782000    
 H    2.273400      -1.653400       1.761300    
 H    2.783400      -2.338200      -1.185000    
 H  -0.7908000      -3.133900      -1.475200    
 H   -1.820700      -2.963500     -4.4399999E-02
 H   0.8502000      -3.821700       2.567200    
 H    3.014800      -3.816500       1.922200    
 H   -2.332400      0.1451000      0.4016000    
 H   -3.249600      -1.362100      0.4544000    
 H    5.087000      -1.267000     -0.9388000    
 H   -3.818700      -2.716400      -1.543900    
 H   -2.808400      -2.862800      -3.001700    
 H   -3.977700      -1.543200      -2.890900    
 H   -3.954100       1.050200      -1.287400    
 H   -4.889300     -0.4579000      -1.206600    
 H   0.5225000       2.942300      0.7321000    
 H    5.741000       3.471400     -0.2856000    
 H    4.691100       4.804700      0.1610000    
 H   -7.710600       2.454900       1.063300    


%chk=000001077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001077

1 1
S -2.114756 -1.973361 -1.648004
O 0.886180 -1.973414 -1.141094
O 0.585645 -3.821898 1.990781
O 3.535258 -3.437997 0.780588
O -3.020840 1.615572 1.190394
O -4.559824 3.775553 0.433765
O -4.960298 2.713210 -1.609813
N 2.604407 -0.370634 -0.557014
N 3.834637 1.559174 -0.756925
N 0.689033 0.521028 0.788601
N 0.984427 2.905326 1.321832
N 2.839337 4.167114 0.590213
C 0.106904 -2.548095 -0.016333
C 1.113114 -3.473134 0.688912
C 2.371251 -2.572653 0.700160
C 2.278900 -1.788812 -0.656976
C -1.102197 -3.242136 -0.604327
C 1.891370 0.620212 0.139456
C -2.362143 -0.554477 -0.385510
C 3.756411 0.262609 -1.081407
C -3.811834 -2.811227 -1.624400
C 2.675425 1.796730 0.005839
C -3.268866 0.521106 -0.991325
C 2.180033 2.977903 0.637796
C -3.507183 1.630908 0.040752
C 0.320776 1.718494 1.360261
C -4.423511 2.761588 -0.479606
H -0.167517 -1.742574 0.694124
H 1.343808 -4.369683 0.074058
H 2.309355 -1.869685 1.554181
H 2.955058 -2.243953 -1.401003
H -0.830414 -4.021001 -1.335064
H -1.767879 -3.631411 0.182890
H 1.217003 -4.424987 2.457830
H 4.316126 -2.956715 1.152276
H -1.341175 -0.181491 -0.174776
H -2.782939 -1.009094 0.527035
H 4.485429 -0.279232 -1.681501
H -4.169860 -2.886140 -0.586907
H -3.682251 -3.806692 -2.073717
H -4.487508 -2.205857 -2.244251
H -2.825224 0.979432 -1.896264
H -4.260820 0.142829 -1.305818
H -0.627766 1.720370 1.905435
H 3.725808 4.243938 0.093516
H 2.441665 4.974070 1.069475
H -5.152756 4.499785 0.090666


