%chk=000026780.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026780

0 1
 S    1.157600      -1.803600      0.3436000    
 O  -0.4854000      0.3146000     -0.1143000    
 O   -5.927000      0.4830000     -0.1052000    
 N    4.654300      0.2433000     -0.1737000    
 N   -1.529400      -1.647700      0.3288000    
 C    3.745800     -0.8351000      0.1081000    
 C    6.054700     -0.1980000     -8.1000000E-02
 C    4.436500       1.378900      0.7359000    
 C    2.283600     -0.4187000      2.6100000E-02
 C    6.329600      -1.368900      -1.001900    
 C    5.332100       2.549400      0.3864000    
 C  -0.3880000      -1.012400      0.1785000    
 C   -2.467600     -0.6660000      0.1200000    
 C   -1.832300      0.5367000     -0.1516000    
 C   -3.869200     -0.7025000      0.1403000    
 C   -2.484400       1.735700     -0.4111000    
 C   -4.563100      0.4888000     -0.1171000    
 C   -3.882200       1.682200     -0.3871000    
 C   -6.565800     -0.7600000      0.1754000    
 H    3.869600      -1.639700     -0.6257000    
 H    3.948300      -1.267100       1.098200    
 H    6.729900      0.5995000     -0.4073000    
 H    6.328200     -0.4666000      0.9472000    
 H    3.419900       1.768800      0.6326000    
 H    4.579200       1.094800       1.786000    
 H    2.037900      0.3288000      0.7845000    
 H    2.065900      1.0000000E-03 -0.9627000    
 H    5.906800      -2.305900     -0.6261000    
 H    5.953400      -1.188200      -2.014700    
 H    7.411200      -1.527100      -1.081300    
 H    6.369900       2.390500      0.6950000    
 H    5.310000       2.773400     -0.6857000    
 H    4.987000       3.446800      0.9127000    
 H   -4.337500      -1.654100      0.3546000    
 H   -1.948300       2.653300     -0.6188000    
 H   -4.446600       2.591300     -0.5834000    
 H   -7.645900     -0.5820000      0.1449000    
 H   -6.330500      -1.116100       1.184100    
 H   -6.345300      -1.509400     -0.5924000    


%chk=000026780-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026780

0 1
S 1.209444 -1.665767 1.235474
O -0.393331 0.202409 -0.047422
O -5.941726 0.390246 -0.590828
N 4.771483 0.214964 0.251652
N -1.555545 -1.558217 0.945821
C 3.832782 -0.814593 0.756119
C 5.998285 -0.345749 -0.375387
C 5.042360 1.293631 1.241201
C 2.388721 -0.373606 0.458902
C 5.733477 -0.958882 -1.763686
C 5.414214 2.635834 0.582761
C -0.369560 -1.022139 0.708054
C -2.485000 -0.673464 0.329989
C -1.784218 0.401014 -0.278097
C -3.892491 -0.741536 0.262959
C -2.417317 1.440867 -0.969375
C -4.548200 0.304353 -0.432148
C -3.824693 1.375971 -1.037819
C -6.753894 -0.671125 0.007064
H 4.031020 -1.772523 0.242642
H 3.962317 -1.002066 1.849348
H 6.722633 0.480933 -0.488275
H 6.484874 -1.104310 0.288270
H 4.124091 1.438905 1.840717
H 5.843285 0.988890 1.960886
H 2.152961 0.604026 0.906553
H 2.200265 -0.336408 -0.623580
H 5.012893 -1.795684 -1.714388
H 5.319831 -0.194340 -2.443850
H 6.671601 -1.351774 -2.198142
H 6.337150 2.558260 -0.019913
H 4.600821 2.970479 -0.084049
H 5.583616 3.409956 1.354303
H -4.425405 -1.570877 0.732501
H -1.861826 2.260181 -1.432411
H -4.396933 2.148803 -1.558439
H -7.794221 -0.407421 -0.233328
H -6.621910 -0.707889 1.106180
H -6.508952 -1.659652 -0.428459


