%chk=000169489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169489

0 1
 S   0.8994000       1.137700      -2.650300    
 S   -5.059900     -0.5764000     -0.9704000    
 O  -0.1057000       3.425700       1.270000    
 O    4.148100      -1.405700     -0.4055000    
 O    2.007800       1.408400       2.509500    
 O    3.682600       2.570500       1.472800    
 O   -3.072400       1.221000      -2.553500    
 O    6.412400      -1.494800      4.4300001E-02
 N   0.8235000       1.714200     -5.9700001E-02
 N   -2.371300       1.946400     -0.4627000    
 N   -3.674600     -0.9029000       1.223300    
 N   -2.950100      -2.088700     -0.8019000    
 C  -3.7000000E-03   1.104700      -1.085100    
 C  -0.9942000       2.263800     -0.8395000    
 C  -8.1400000E-02   2.621300      0.3680000    
 C    2.096400       1.327500      0.2120000    
 C    2.795000      0.5433000     -0.6432000    
 C    2.267800      0.1137000      -2.010400    
 C    4.180400      5.5999998E-03 -0.3759000    
 C    2.704100       1.851400       1.444300    
 C   -3.305200       1.444700      -1.366500    
 C   -4.657100       1.172900     -0.7514000    
 C    5.341400      -2.043000     -0.1782000    
 C   -3.691100      -1.318300     -9.1200002E-02
 C   -2.738800      -1.246300       2.262400    
 C   -1.799900      -2.753400     -0.2250000    
 C    5.155900      -3.528900     -0.2390000    
 C   -1.576900     -0.2615000       2.246400    
 C   -3.455300      -1.237400       3.606200    
 C   -2.240000      -4.091400      0.3504000    
 C  -0.7373000      -2.924200      -1.300300    
 H  -0.3786000      0.1189000     -0.7977000    
 H  -0.9806000       3.062800      -1.593300    
 H    3.069000      0.1776000      -2.754300    
 H    1.935800     -0.9290000      -1.965200    
 H   -2.672400       2.095900      0.4972000    
 H    4.866800      0.3793000      -1.146000    
 H    4.566100      0.3241000      0.5973000    
 H   -5.396900       1.777100      -1.286400    
 H   -4.701500       1.464500      0.3009000    
 H    2.380100       1.735300       3.356200    
 H   -2.367600      -2.264300       2.174800    
 H   -4.421100     -0.2750000       1.509900    
 H   -1.292400      -2.163000      0.5284000    
 H    4.796500      -3.816300      -1.230200    
 H    6.115200      -4.022400     -5.8800001E-02
 H    4.450200      -3.845300      0.5332000    
 H   -1.921700      0.7562000       2.463100    
 H   -1.069800     -0.2299000       1.283300    
 H  -0.8348000     -0.5283000       3.006400    
 H   -3.868900     -0.2483000       3.834000    
 H   -4.287000      -1.950800       3.609800    
 H   -2.771100      -1.511300       4.416400    
 H   -2.588300      -4.761800     -0.4440000    
 H   -1.407300      -4.585500      0.8616000    
 H   -3.066200      -3.990400       1.060700    
 H   -1.099200      -3.561600      -2.115100    
 H   0.1681000      -3.382900     -0.8892000    
 H  -0.4632000      -1.963000      -1.743600    


%chk=000169489-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169489

0 1
S 1.855625 1.106740 -3.030126
S -4.323576 0.671565 -0.787109
O 1.360255 2.315833 1.456790
O 4.767018 -2.577608 -1.980395
O 2.527735 -0.347609 2.108940
O 4.758108 -0.237335 1.472284
O -1.932741 3.460786 -2.060611
O 5.967055 -1.808149 -3.835085
N 1.735877 0.640619 -0.293037
N -1.279389 1.843807 -0.492609
N -4.698666 -1.023934 1.259412
N -2.637248 0.304650 1.360381
C 0.849218 0.719250 -1.478179
C 0.120805 1.944874 -0.807685
C 1.129439 1.755577 0.373828
C 2.978350 -0.018680 -0.211358
C 3.609077 -0.495499 -1.344589
C 3.028222 -0.358378 -2.742977
C 4.922559 -1.241001 -1.302107
C 3.543480 -0.192014 1.162563
C -2.210806 2.626300 -1.144854
C -3.645275 2.440491 -0.637796
C 5.387088 -2.737962 -3.230137
C -3.767156 -0.084345 0.834855
C -4.415400 -2.311067 1.953572
C -2.204388 0.014718 2.758849
C 5.256686 -4.170077 -3.697192
C -5.244705 -2.425575 3.251922
C -4.691120 -3.492754 0.992914
C -0.992588 -0.948138 2.756948
C -1.835134 1.358158 3.429290
H 0.236268 -0.180314 -1.639880
H 0.300617 2.883226 -1.365900
H 3.845682 -0.225944 -3.472893
H 2.483737 -1.279194 -3.021161
H -1.644708 1.203160 0.280299
H 5.706061 -0.677962 -1.844364
H 5.262421 -1.467009 -0.284221
H -4.319974 3.061341 -1.244723
H -3.724252 2.718065 0.427526
H 2.930264 -0.362176 3.018833
H -3.342258 -2.311481 2.204960
H -5.625956 -0.953404 0.828933
H -3.033785 -0.442603 3.339835
H 4.236969 -4.547243 -3.516600
H 5.508811 -4.237837 -4.765288
H 5.951752 -4.809242 -3.123317
H -6.327757 -2.424006 3.026258
H -5.035923 -1.581870 3.932636
H -5.011667 -3.368170 3.779484
H -5.758175 -3.521803 0.699877
H -4.082275 -3.405532 0.076154
H -4.451718 -4.453626 1.483164
H -0.134354 -0.498519 2.227744
H -0.678239 -1.159425 3.796040
H -1.229159 -1.909932 2.265187
H -1.007374 1.851134 2.889084
H -1.512956 1.186233 4.473092
H -2.701359 2.043389 3.441838


