%chk=000001712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001712

0 1
 S    5.079400      -1.445900     -0.5299000    
 S   -2.579000       2.250200     -0.1257000    
 O   -3.323700      -3.412600       1.234700    
 O    5.457600      -2.318100      -1.635700    
 O    5.608200      -1.727400      0.7990000    
 N  -0.8591000      -1.361600     -0.2375000    
 N   -5.140900      -2.146600      0.5145000    
 N   -4.894200       3.165300     -0.8559000    
 N    5.463000      0.1747000     -0.9717000    
 N    5.361100       1.333700       1.080000    
 C   -3.931000     -0.1899000      0.2434000    
 C   -3.051900      -1.094400      0.6693000    
 C   -1.598600      -1.048300      0.9595000    
 C   -5.214700     -0.9047000      0.1663000    
 C   -3.891400       1.166900     -0.1116000    
 C   -3.819800      -2.364400      0.8493000    
 C   -5.028400       1.840200     -0.5300000    
 C   0.5261000      -1.382000     -0.3052000    
 C   -6.412300     -0.1467000     -0.2877000    
 C   -6.283200       1.155800     -0.6094000    
 C    3.335800      -1.421400     -0.4441000    
 C    1.308000      -1.088500      0.8266000    
 C    1.184200      -1.695700      -1.508400    
 C    2.701000      -1.108000      0.7579000    
 C    2.577300      -1.715300      -1.577400    
 C   -3.631700       3.494800     -0.6794000    
 C    4.904900       1.241000     -0.1844000    
 C    3.965400       2.081700     -0.7467000    
 C    3.453300       3.098700      5.1399998E-02
 C    4.840500       2.334200       1.825600    
 C    3.894100       3.234300       1.363200    
 H   -1.329000     -5.3599998E-02   1.330300    
 H   -1.358400      -1.758600       1.759900    
 H   -1.366900      -1.586700      -1.086800    
 H   -7.361800     -0.6639000     -0.3481000    
 H   -7.156100       1.710000     -0.9406000    
 H   0.8561000     -0.8392000       1.782800    
 H   0.6078000      -1.925100      -2.402000    
 H    3.271200     -0.8756000       1.652900    
 H    3.049600      -1.954300      -2.525900    
 H   -3.266000       4.494500     -0.8700000    
 H    5.470300      0.3594000      -1.983800    
 H    3.628400       1.964100      -1.770800    
 H    2.711200       3.783600     -0.3478000    
 H    5.216400       2.396200       2.841600    
 H    3.508200       4.019000       2.003600    


%chk=000001712-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001712

0 1
S 4.601817 -0.938708 -1.195354
S -2.350689 1.235424 -0.979301
O -4.134343 -3.352328 2.587705
O 4.874137 -1.429397 -2.726307
O 5.484636 -1.515215 0.034197
N -1.300843 -1.723283 -0.103572
N -5.791922 -1.879417 1.655753
N -4.640366 2.448736 -1.681195
N 4.861181 0.907237 -1.420343
N 4.396756 1.440336 0.828283
C -4.174635 -0.542766 0.466696
C -3.422061 -1.487306 1.127679
C -1.945044 -1.733414 1.215792
C -5.634828 -0.837527 0.829284
C -3.920231 0.583418 -0.387400
C -4.437259 -2.361926 1.885117
C -4.993675 1.365845 -0.865359
C 0.064792 -1.539422 -0.317649
C -6.693966 -0.007367 0.298394
C -6.377960 1.058140 -0.521567
C 2.786818 -1.139590 -0.831141
C 0.976304 -1.302338 0.757014
C 0.566192 -1.585611 -1.656548
C 2.343590 -1.094784 0.499595
C 1.930349 -1.389390 -1.919736
C -3.331895 2.527597 -1.839245
C 5.028922 1.776845 -0.337186
C 5.778686 2.982437 -0.486441
C 5.842571 3.867282 0.605362
C 4.494822 2.304752 1.876659
C 5.192225 3.530579 1.818468
H -1.487275 -0.936653 1.839197
H -1.777579 -2.689751 1.756382
H -1.864163 -2.048740 -0.890189
H -7.726253 -0.245190 0.567309
H -7.151908 1.709577 -0.939135
H 0.628788 -1.290351 1.793659
H -0.123045 -1.775882 -2.487653
H 3.054153 -0.891520 1.305286
H 2.331637 -1.442930 -2.936568
H -2.817431 3.281139 -2.435024
H 5.424563 1.040015 -2.271042
H 6.287102 3.210483 -1.428942
H 6.406005 4.802153 0.515927
H 3.989215 1.990881 2.797108
H 5.233114 4.187728 2.691328


