%chk=000071323.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071323

0 1
 S    3.046000      -2.486500     -0.6294000    
 S    6.610700     -0.7096000      -1.216700    
 O   2.4000001E-03  0.8918000      -1.869000    
 O  -0.8337000      0.5577000       1.754700    
 O   -1.539900      -1.626800       1.960000    
 O    1.366800       2.934600      0.6219000    
 O    2.200500       4.504700     -0.7880000    
 N    2.072700      0.8810000     -0.8407000    
 N  -0.8203000      -1.413300     -0.9057000    
 C   0.5979000      -1.112400     -0.6657000    
 C    3.866900     -0.8441000     -0.7152000    
 C    1.452600      -2.122800      -1.435500    
 C    3.072300      0.2435000      2.3300000E-02
 C   -1.666700     -0.4756000     -0.1896000    
 C   0.8446000      0.3096000      -1.178600    
 C   -3.158300     -0.7550000     -0.4343000    
 C    2.436000       2.184600      -1.385000    
 C    5.283500     -0.9700000     -0.1701000    
 C   -4.129000      0.2078000      0.2642000    
 C   -1.356900     -0.6180000       1.291400    
 C   -5.579800     -5.9200000E-02 -4.8200000E-02
 C    5.680500      -1.279800       1.109200    
 C    1.999800       3.329300     -0.5072000    
 C    7.099600      -1.304100       1.234300    
 C    7.729000      -1.011700      4.4300001E-02
 C   -6.169800      0.5706000      -1.133800    
 C   -6.300400     -0.9305000      0.7547000    
 C  -0.4825000      0.5732000       3.142000    
 C   -7.511700      0.3237000      -1.423000    
 C   -7.642400      -1.177500      0.4654000    
 C   -8.248000     -0.5504000     -0.6236000    
 C   7.7399999E-02   1.935100       3.493600    
 H   0.8129000      -1.190000      0.4025000    
 H    3.924300     -0.5891000      -1.781400    
 H   0.9396000      -3.090200      -1.490700    
 H    1.640400      -1.803100      -2.466800    
 H    2.581300     -0.1461000      0.9222000    
 H    3.744200       1.034100      0.3831000    
 H   -1.543600      0.5748000     -0.4586000    
 H   -1.021800      -1.376100      -1.904700    
 H   -3.397700      -1.781200     -0.1216000    
 H   -3.348500     -0.7178000      -1.516000    
 H    3.520200       2.228300      -1.529700    
 H    1.945600       2.313700      -2.355800    
 H   -3.885200       1.240800     -1.7300000E-02
 H   -3.986300      0.1633000       1.351500    
 H    4.994800      -1.478200       1.923200    
 H    7.631700      -1.524200       2.150600    
 H    8.792000     -0.9608000     -0.1448000    
 H   -5.604100       1.251300      -1.763800    
 H   -5.836900      -1.425300       1.603500    
 H   0.2643000     -0.2025000       3.344400    
 H   -1.379800      0.3801000       3.740500    
 H   -7.983200      0.8114000      -2.271200    
 H   -8.215700      -1.858600       1.087500    
 H   -9.292900     -0.7431000     -0.8491000    
 H    1.091100       3.699000       1.171400    
 H   0.2274000       2.024400       4.573500    
 H    1.043800       2.086300       3.005700    
 H  -0.5903000       2.734800       3.158000    


%chk=000071323-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071323

0 1
S 3.066238 -2.088229 0.294560
S 6.765380 -0.652848 -0.673621
O -0.057757 0.284312 -2.486184
O -0.595951 -0.456071 2.427311
O -2.616113 -1.615385 2.417824
O 1.548640 3.451541 -1.068276
O 2.579919 4.125259 -3.039833
N 1.992015 0.801373 -1.523446
N -0.922654 -1.305198 -0.421932
C 0.498960 -0.916099 -0.417728
C 3.895507 -0.553852 -0.516494
C 1.401590 -2.167171 -0.606784
C 2.987703 0.709281 -0.435684
C -1.839088 -0.421727 0.361845
C 0.780944 0.119220 -1.542472
C -3.271846 -0.522685 -0.195933
C 2.275638 1.721323 -2.629636
C 5.204057 -0.352424 0.191714
C -4.264376 0.458466 0.484651
C -1.779236 -0.900971 1.824766
C -5.669373 0.326351 -0.085965
C 5.442960 0.064207 1.496433
C 2.170887 3.209275 -2.296721
C 6.842042 0.163017 1.833191
C 7.686233 -0.180967 0.789600
C -6.130142 1.192893 -1.109854
C -6.536157 -0.700459 0.371832
C -0.308802 -0.965087 3.806404
C -7.421871 1.039944 -1.664069
C -7.827845 -0.857027 -0.178207
C -8.275837 0.013094 -1.199984
C 1.147305 -0.622698 4.108743
H 0.720435 -0.486157 0.574200
H 4.062440 -0.805596 -1.579421
H 0.893263 -3.019263 -0.126163
H 1.574148 -2.407298 -1.670293
H 2.491826 0.750957 0.550186
H 3.632696 1.602732 -0.505081
H -1.509619 0.642941 0.331826
H -1.265289 -1.387202 -1.391695
H -3.634241 -1.559298 -0.069674
H -3.237505 -0.305778 -1.281682
H 3.284168 1.550626 -3.048579
H 1.536435 1.514853 -3.427518
H -3.896205 1.494682 0.350911
H -4.281054 0.246940 1.570034
H 4.637343 0.277688 2.203979
H 7.207397 0.473878 2.814750
H 8.774046 -0.199418 0.759957
H -5.473317 1.993378 -1.473552
H -6.194262 -1.375362 1.166617
H -0.504057 -2.051954 3.822552
H -1.014703 -0.475723 4.501734
H -7.761932 1.720824 -2.452973
H -8.485311 -1.652956 0.190323
H -9.278452 -0.105862 -1.626214
H 1.474268 4.435298 -0.930834
H 1.410616 -0.976438 5.122262
H 1.822996 -1.109598 3.383228
H 1.312301 0.468347 4.070864


