%chk=000048814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048814

0 1
 S    1.982500      0.4432000     -0.3812000    
 O  -0.3577000      -1.625900      -1.325600    
 O   5.7799999E-02   1.771400       1.794200    
 O   -3.717700       1.536500     -0.7819000    
 N   -2.157900     -0.1889000     -0.9883000    
 N   -1.853600       1.590700      0.5385000    
 C  -0.3953000     -0.3564000      0.7272000    
 C   -1.103100      -1.215400       1.790800    
 C    1.117100     -0.6208000      0.7948000    
 C  -0.9355000     -0.7838000     -0.6361000    
 C  -0.6691000       1.100300       1.062900    
 C  -0.8544000      -2.687200       1.550400    
 C   -2.663900       1.000300     -0.4288000    
 C    3.673600     -0.1069000     -5.1300000E-02
 C   -2.882400     -0.7527000      -2.121200    
 C    4.665600      0.6728000     -0.9072000    
 C    6.094000      0.2229000     -0.6372000    
 H   -2.185600      -1.034200       1.783800    
 H  -0.7554000     -0.9458000       2.796400    
 H    1.375300      -1.649600      0.5294000    
 H    1.505300     -0.4221000       1.800400    
 H   -1.223900      -3.039100      0.5840000    
 H   0.1951000      -2.971000       1.660300    
 H   -1.399500      -3.262400       2.308600    
 H   -2.137000       2.514100      0.8545000    
 H    3.749400      -1.177100     -0.2709000    
 H    3.896800      4.4500001E-02   1.010100    
 H   -3.961000     -0.6368000      -1.980600    
 H   -2.647100      -1.813100      -2.248900    
 H   -2.583400     -0.2077000      -3.021900    
 H    4.447000      0.5292000      -1.972400    
 H    4.589900       1.746800     -0.6978000    
 H    6.220900     -0.8398000     -0.8674000    
 H    6.793800      0.7908000      -1.258300    
 H    6.364100      0.3826000      0.4117000    


%chk=000048814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048814

0 1
S 2.066819 1.013139 0.965448
O 0.404920 -1.610575 -0.704605
O -1.019556 1.586363 2.619999
O -2.830837 1.612553 -1.644825
N -1.287352 -0.087890 -1.155670
N -1.912029 1.528818 0.488354
C -0.431547 -0.343880 1.215692
C -1.337215 -1.420616 1.957858
C 0.999831 -0.320593 1.798551
C -0.370413 -0.711583 -0.276507
C -1.106516 1.005726 1.508014
C -0.798333 -2.864808 1.947477
C -2.063110 1.047481 -0.824993
C 3.268714 -0.087152 -0.022501
C -1.351162 -0.553198 -2.563044
C 4.074371 0.786091 -0.998994
C 5.108353 -0.052948 -1.784814
H -2.347946 -1.396183 1.503583
H -1.445174 -1.064377 3.000069
H 1.497146 -1.287441 1.634834
H 0.959388 -0.084210 2.872667
H -0.617494 -3.233473 0.923770
H 0.146488 -2.953777 2.511069
H -1.536192 -3.531476 2.429762
H -2.429429 2.389298 0.696681
H 2.662850 -0.840595 -0.553415
H 3.934332 -0.589525 0.701567
H -2.374089 -0.404430 -2.937357
H -1.065249 -1.614178 -2.588330
H -0.651859 0.022391 -3.193470
H 3.379954 1.282934 -1.703536
H 4.594291 1.589579 -0.441412
H 4.613645 -0.854212 -2.364664
H 5.671509 0.580983 -2.493397
H 5.837590 -0.528840 -1.102861


