%chk=000004607.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004607

-1 1
 S    2.892500       2.177000      0.6414000    
 O    1.631700     -0.5135000      -2.578200    
 O    3.575600     -0.6942000       2.137900    
 O    4.578900      -2.249000      0.7922000    
 O   -1.234800       2.659200      0.5811000    
 O   -5.174000       1.174800      0.3295000    
 N    2.226300     -0.1661000     -0.3224000    
 N  -0.7171000      0.7833000     -0.6548000    
 N   -4.808900     -0.1641000      0.2579000    
 C    1.573000      0.9317000      0.3883000    
 C    4.228000       1.118200     -0.1082000    
 C    3.660300     -0.3207000     -0.1854000    
 C   0.6937000       1.124400     -0.8587000    
 C    1.524100     -1.5699999E-02  -1.480700    
 C    4.519800       1.672100      -1.513500    
 C    5.495300       1.246100      0.7449000    
 C    3.968000      -1.171000       1.037000    
 C   -1.594700       1.599700      6.8899997E-02
 C   -2.986100       1.137700      0.1603000    
 C   -3.476800     -0.1542000      0.1560000    
 C   -4.059000       1.947100      0.2689000    
 C   -2.746800      -1.391300      6.0100000E-02
 C   -4.270600       3.399800      0.3327000    
 C   -2.303100      -2.026400       1.217800    
 C   -2.486900      -1.948300      -1.190000    
 C   -1.595300      -3.224800       1.124900    
 C   -1.779400      -3.146800      -1.282800    
 C   -1.333600      -3.785000     -0.1252000    
 H    1.067400      0.6016000       1.301100    
 H    4.039600     -0.8275000      -1.082100    
 H   0.8094000       2.072300      -1.396100    
 H    5.296200       1.075100      -2.006300    
 H    3.639400       1.658100      -2.164100    
 H    4.884200       2.705600      -1.473500    
 H    5.914400       2.258100      0.6822000    
 H    5.330200       1.043000       1.807300    
 H    6.270400      0.5574000      0.3885000    
 H   -1.089400     -1.4100000E-02  -1.153200    
 H   -3.932300       3.793800       1.295900    
 H   -3.714700       3.908000     -0.4614000    
 H   -5.328300       3.655800      0.2155000    
 H   -2.498100      -1.602000       2.199700    
 H   -2.829700      -1.465100      -2.101900    
 H   -1.247500      -3.721300       2.026000    
 H   -1.575200      -3.583100      -2.256200    
 H  -0.7821000      -4.717800     -0.1976000    


%chk=000004607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004607

-1 1
S 3.012634 2.088145 0.858345
O 1.468515 0.553718 -3.133852
O 2.464796 -1.712439 1.139154
O 4.576718 -2.317408 0.321938
O -1.607045 3.155345 0.065172
O -5.335566 1.034513 0.412394
N 2.211010 0.193701 -0.838134
N -0.792638 1.133684 -0.750966
N -4.781470 -0.331783 0.458248
C 1.582957 1.001282 0.218641
C 4.359205 0.925048 0.000614
C 3.550198 -0.319237 -0.577882
C 0.591781 1.568030 -0.875196
C 1.455218 0.719993 -1.892343
C 4.988191 1.733467 -1.155948
C 5.404121 0.536834 1.059328
C 3.521894 -1.578509 0.392256
C -1.782623 1.916239 -0.191326
C -3.091855 1.237605 0.080445
C -3.447400 -0.170626 0.254392
C -4.292665 1.935184 0.199190
C -2.600897 -1.391291 0.237985
C -4.657029 3.380167 0.122417
C -1.317552 -1.414691 0.851211
C -3.079738 -2.568208 -0.400525
C -0.489250 -2.557423 0.771378
C -2.273034 -3.725162 -0.446692
C -0.975333 -3.715863 0.119712
H 1.168143 0.421705 1.051964
H 4.028600 -0.633894 -1.521632
H 0.641061 2.658095 -1.008437
H 5.817868 1.153425 -1.607356
H 4.243320 1.949956 -1.942115
H 5.394123 2.695434 -0.793884
H 5.968515 1.428895 1.391216
H 4.922551 0.069489 1.932778
H 6.101958 -0.207304 0.633762
H -0.981525 0.141274 -0.917794
H -5.246023 3.680129 1.007789
H -3.728104 3.969689 0.083731
H -5.269092 3.587474 -0.774956
H -0.955753 -0.535558 1.394690
H -4.071767 -2.556301 -0.864169
H 0.537918 -2.508572 1.162593
H -2.647743 -4.625904 -0.947082
H -0.333193 -4.600447 0.042647


