%chk=000018497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018497

0 1
 S   0.6464000      -2.569500     -0.2017000    
 O   -1.296200      -1.054100       1.689500    
 O   0.6290000      -3.133400       1.134200    
 O   0.9631000      -3.400900      -1.346900    
 O    5.691600       1.704000      0.5531000    
 N   -2.756900     -0.5158000     -1.9300001E-02
 N  -0.8262000      -1.750400     -0.4899000    
 C   -3.713200      0.2102000      0.7866000    
 C   -3.325900       1.688200      0.9030000    
 C   -5.133700      5.0000001E-02  0.2343000    
 C   -3.538900       2.453300     -0.4032000    
 C   -5.343600      0.8177000      -1.070900    
 C   -4.962300       2.287800     -0.9270000    
 C   -1.617000      -1.092900      0.5054000    
 C    1.790900      -1.222800     -0.2157000    
 C    3.584100      0.8859000     -0.2390000    
 C    2.381600     -0.8510000      -1.411100    
 C    2.075700     -0.5647000      0.9684000    
 C    4.550000       2.022400     -0.2512000    
 C    3.285400      0.2115000      -1.422700    
 C    2.979300      0.4978000      0.9566000    
 C    3.936700       3.326700      0.2674000    
 H   -3.688800     -0.2273000       1.792500    
 H   -2.279600       1.789100       1.215500    
 H   -3.936200       2.154800       1.686800    
 H   -5.849700      0.4197000      0.9794000    
 H   -5.362100      -1.010400      7.2700001E-02
 H   -2.827200       2.100000      -1.159200    
 H   -3.328300       3.516900     -0.2431000    
 H   -6.394700      0.7415000      -1.372700    
 H   -4.753600      0.3623000      -1.874800    
 H   -5.662100       2.779800     -0.2403000    
 H   -5.059800       2.790900      -1.895700    
 H   -2.899300     -0.5677000      -1.023100    
 H   -1.188500      -1.769500      -1.451600    
 H    2.156500      -1.357300      -2.344500    
 H    1.614200     -0.8507000       1.908400    
 H    4.919200       2.194200      -1.269400    
 H    3.746600      0.5030000      -2.362600    
 H    3.205100       1.004700       1.890700    
 H    3.684500       3.265200       1.331600    
 H    3.034200       3.594300     -0.2915000    
 H    4.658600       4.145400      0.1716000    
 H    6.304600       2.457300      0.5021000    


%chk=000018497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018497

0 1
S 0.622034 -2.279970 -0.773739
O -0.944634 -0.375376 1.128269
O 0.440650 -3.294874 0.470224
O 0.843412 -2.844224 -2.285340
O 5.431785 1.750812 1.826837
N -2.872350 -0.277417 -0.202543
N -0.914046 -1.282497 -1.029298
C -3.660079 0.515375 0.772378
C -3.609206 2.035150 0.453442
C -5.124911 0.009788 0.803148
C -4.380639 2.389712 -0.839812
C -5.904873 0.367291 -0.487230
C -5.844078 1.886410 -0.779782
C -1.555943 -0.630480 0.047251
C 1.968807 -1.019182 -0.395913
C 4.053988 0.742262 0.121660
C 2.783473 -0.633085 -1.472566
C 2.145013 -0.582432 0.924906
C 5.174960 1.743885 0.377068
C 3.838071 0.262163 -1.195348
C 3.209595 0.311972 1.174460
C 4.799504 3.160043 -0.121172
H -3.179523 0.338312 1.751012
H -2.553033 2.355317 0.384677
H -4.058310 2.580165 1.308901
H -5.628862 0.488709 1.665940
H -5.138260 -1.081592 0.983850
H -3.868852 1.934463 -1.713330
H -4.359110 3.484234 -1.001962
H -6.956135 0.035851 -0.388699
H -5.493293 -0.190452 -1.356807
H -6.381229 2.429555 0.025200
H -6.369710 2.115591 -1.726791
H -3.318354 -0.542200 -1.081549
H -1.382347 -1.570238 -1.897425
H 2.609825 -1.037942 -2.474436
H 1.468845 -0.914838 1.716491
H 6.086733 1.402028 -0.160827
H 4.501298 0.574162 -2.011077
H 3.404259 0.675156 2.186205
H 3.912515 3.528032 0.423443
H 4.565701 3.153274 -1.200683
H 5.634644 3.868812 0.039483
H 6.096166 2.454471 2.034183


