%chk=000116837.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116837

0 1
 S    2.149500       2.936600      0.2667000    
 S    6.505200     -0.1667000     -0.4157000    
 S  -0.5334000      -3.627600      0.2915000    
 O    1.678600       3.048900       1.825200    
 O    7.122800     -0.2708000       1.094500    
 O   -1.394000      -3.622600      -1.097200    
 O    3.246500       3.869300      7.9300001E-02
 O   0.9677000       2.989600     -0.5740000    
 O    6.783600      -1.433600      -1.076300    
 O    6.951400       1.088400      -1.000400    
 O   0.3819000      -4.755700      0.2227000    
 O   -1.461200      -3.487700       1.401300    
 O   -4.920000       3.576300     -1.5500000E-02
 N   -1.559300     -0.7834000      0.5499000    
 N   -2.124400     -0.6906000     -0.5642000    
 N   -3.335900       1.856000     -0.2942000    
 N   -7.663900     -0.2595000      0.1411000    
 N   -2.704500       4.076600     -0.2657000    
 C    1.998600      0.1610000      0.1551000    
 C    2.604000      -1.111100      2.1000000E-02
 C    2.801800       1.312100      0.1096000    
 C    4.777600     -4.0600002E-02 -0.1970000    
 C    3.994800      -1.194600     -0.1545000    
 C   0.4199000      -2.160400      0.2416000    
 C    1.800400      -2.262100      6.6299997E-02
 C   0.6076000      0.2448000      0.3303000    
 C    4.182200       1.210500     -6.5099999E-02
 C  -0.1754000     -0.9092000      0.3731000    
 C   -3.512900     -0.5646000     -0.3874000    
 C   -4.104200      0.6892000     -0.2548000    
 C   -4.292900      -1.717700     -0.3452000    
 C   -5.484200      0.7908000     -7.9200000E-02
 C   -6.268600     -0.3619000     -3.6499999E-02
 C   -5.672900      -1.616200     -0.1695000    
 C   -3.766300       3.186500     -0.1770000    
 H    4.461000      -2.173200     -0.2499000    
 H    2.276200      -3.234300     -4.0300000E-02
 H   8.5400000E-02   1.180600      0.4896000    
 H    4.810200       2.095500     -8.7600000E-02
 H    2.397000       2.947500       2.493100    
 H    6.833000      -1.055600       1.616600    
 H  -0.8601000      -3.636400      -1.926100    
 H   -3.844000      -2.700800     -0.4476000    
 H   -6.010300       1.728500      3.0300001E-02
 H   -6.273200      -2.521900     -0.1379000    
 H   -2.336600       1.718200     -0.4243000    
 H   -8.232400      -1.095400      0.1727000    
 H   -8.097900      0.6487000      0.2385000    
 H   -2.852800       5.078000     -0.1994000    
 H   -1.750400       3.757700     -0.3973000    


%chk=000116837-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116837

0 1
S 1.776131 2.754958 0.426479
S 6.573769 0.132940 -0.570699
S -0.142924 -4.376452 0.035694
O 1.533342 2.432220 2.227324
O 6.996987 0.074455 1.233268
O -1.686565 -4.012012 -0.795972
O 2.803964 3.976990 0.208990
O 0.297771 2.863289 -0.245535
O 7.096408 -1.218131 -1.286523
O 6.953932 1.594269 -1.147832
O 0.756565 -5.375642 -0.856933
O -0.410100 -4.711722 1.594895
O -4.653005 3.848780 -0.290292
N -1.551317 -1.596435 0.046167
N -2.205515 -0.442488 0.065576
N -3.223509 1.969290 -0.132873
N -7.751026 0.112660 -0.042178
N -2.331741 4.113733 -0.350722
C 1.922948 -0.119501 0.043058
C 2.713912 -1.326002 -0.174022
C 2.651450 1.115839 0.084109
C 4.726648 0.023100 -0.303846
C 4.127017 -1.229719 -0.341202
C 0.664594 -2.641697 -0.063007
C 2.040452 -2.592364 -0.196814
C 0.516262 -0.217769 0.160093
C 4.023815 1.233749 -0.081813
C -0.138796 -1.458445 0.071675
C -3.571730 -0.416475 0.040200
C -4.142678 0.932822 -0.053922
C -4.455283 -1.549771 0.100041
C -5.539056 1.100671 -0.079694
C -6.383582 -0.040081 -0.016535
C -5.827973 -1.374704 0.076664
C -3.484245 3.358438 -0.261599
H 4.731050 -2.126983 -0.517041
H 2.609849 -3.518340 -0.337761
H -0.097403 0.674515 0.278470
H 4.537204 2.202001 -0.063048
H 1.140470 3.253443 2.646930
H 7.990093 0.171091 1.323154
H -1.882601 -3.005252 -0.445666
H -4.028750 -2.554286 0.183608
H -5.944420 2.112745 -0.155605
H -6.500904 -2.237293 0.133986
H -2.247614 1.639533 -0.109457
H -8.372094 -0.693041 -0.005220
H -8.170508 1.038720 -0.104584
H -2.456335 5.116955 -0.468174
H -1.379759 3.724502 -0.351611


