%chk=000040315.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040315

0 1
 S   -1.793000       1.812400      0.4529000    
 O    6.564500      -1.554800       1.222100    
 O    6.424300     -0.8537000     -0.9339000    
 N   -1.127400     -0.5497000     -0.3411000    
 C    2.437600      0.5839000     -0.3883000    
 C    3.813100      8.8799998E-02 -0.6887000    
 C   4.4199999E-02  0.1871000     -0.2456000    
 C  -0.1181000       1.510300      0.1761000    
 C    1.346300     -0.2781000     -0.5310000    
 C    2.251200       1.896000      3.2499999E-02
 C    4.526600     -0.5211000      0.5232000    
 C   0.9734000       2.381500      0.3216000    
 C   -2.148100      0.2014000      7.9999998E-04
 C   -3.524300     -0.2348000      1.9700000E-02
 C   -3.823600      -1.595600      7.1900003E-02
 C   -4.552500      0.7061000     -1.5200000E-02
 C    5.924700     -0.9734000      0.1776000    
 C   -5.153500      -2.016200      8.9100003E-02
 C   -5.882400      0.2856000      2.0000001E-03
 C   -6.182900      -1.075600      5.4200001E-02
 H    3.766700     -0.6503000      -1.500300    
 H    4.414200      0.9132000      -1.096200    
 H    1.489800      -1.304700     -0.8575000    
 H    3.102000       2.564100      0.1453000    
 H    4.597600      0.2175000       1.329600    
 H    3.965700      -1.388200      0.8901000    
 H   0.8354000       3.407000      0.6503000    
 H   -3.038800      -2.347400      0.1029000    
 H   -4.388900       1.777100     -8.3800003E-02
 H   -5.387700      -3.076000      0.1301000    
 H   -6.684800       1.016900     -3.1399999E-02
 H   -7.218400      -1.403100      6.6200003E-02
 H    7.466200      -1.854600      0.9784000    


%chk=000040315-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040315

0 1
S -1.789867 2.056078 0.396643
O 6.611356 -1.296078 1.527411
O 6.536931 -1.175170 -0.790534
N -1.165384 -0.471070 -0.322974
C 2.469865 0.495495 -0.491594
C 3.851115 -0.082447 -0.763575
C 0.046419 0.235551 -0.277702
C -0.064669 1.617620 0.089602
C 1.317700 -0.314707 -0.567130
C 2.331348 1.868280 -0.126012
C 4.589169 -0.429718 0.552184
C 1.074991 2.440852 0.165442
C -2.211478 0.273229 -0.013022
C -3.603576 -0.189335 0.024284
C -3.886787 -1.543340 -0.316689
C -4.675288 0.670565 0.388289
C 5.977560 -0.989228 0.312123
C -5.211980 -2.018608 -0.293262
C -6.000282 0.189271 0.410245
C -6.274812 -1.156067 0.069726
H 3.775763 -0.994548 -1.381964
H 4.467003 0.633241 -1.338575
H 1.383576 -1.369781 -0.852552
H 3.226317 2.501092 -0.081352
H 4.684563 0.460979 1.202345
H 4.015213 -1.167591 1.144497
H 0.997456 3.497968 0.436342
H -3.053469 -2.195511 -0.595155
H -4.475363 1.715233 0.655180
H -5.419616 -3.061173 -0.557932
H -6.817930 0.861266 0.692335
H -7.305040 -1.528221 0.087049
H 7.518296 -1.662530 1.339925