%chk=000078163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078163

0 1
 S   0.6412000       1.371300      0.3916000    
 S   -1.064300     -0.8553000     -0.7996000    
 O   0.1836000      0.8367000       1.666500    
 O   0.6942000       2.813300      0.1971000    
 O   -1.212500      -1.361100      -2.150900    
 O  -0.4414000      -1.673000      0.2229000    
 N  -0.2978000      0.6712000     -0.8589000    
 N    4.249700      -2.243500       1.071900    
 C    2.227600      0.7046000      9.7099997E-02
 C   -2.687100     -0.4310000     -0.2488000    
 C    2.602300     -0.4969000      0.6987000    
 C    3.120900       1.374000     -0.7394000    
 C   -3.664700     -0.1346000      -1.184400    
 C   -2.955800     -0.4011000       1.109900    
 C    3.870100      -1.028900      0.4634000    
 C    4.388600      0.8419000     -0.9747000    
 C    4.763300     -0.3594000     -0.3732000    
 C   -4.946800      0.2013000     -0.7493000    
 C   -4.237900     -6.5300003E-02   1.544800    
 C   -5.233300      0.2358000      0.6152000    
 H  -0.3565000       1.191200      -1.743600    
 H    1.920100      -1.026500       1.357900    
 H    2.847100       2.307600      -1.222900    
 H   -3.461100     -0.1470000      -2.250700    
 H   -2.196400     -0.6331000       1.849700    
 H    5.083400       1.362200      -1.627400    
 H    5.753900     -0.7639000     -0.5646000    
 H   -5.721400      0.4379000      -1.472900    
 H   -4.461400     -3.8400002E-02   2.607400    
 H   -6.231300      0.4978000      0.9540000    
 H    5.168400      -2.630000      0.9005000    
 H    3.602500      -2.730600       1.677400    


%chk=000078163-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078163

0 1
S 0.741947 1.627824 0.206697
S -1.177218 -0.870649 -0.928535
O 0.014056 1.226556 1.597960
O 0.891858 3.175439 -0.251628
O -1.379394 -1.396527 -2.457385
O -0.340377 -1.775796 0.135245
N -0.402627 0.871893 -1.165136
N 3.965271 -2.517497 0.588741
C 2.444835 0.803492 0.065417
C -2.858299 -0.419765 -0.203771
C 2.532572 -0.553806 0.387343
C 3.510101 1.628845 -0.330338
C -3.969638 -0.633348 -1.033351
C -2.916088 0.074052 1.108373
C 3.817786 -1.167995 0.297798
C 4.777226 0.999024 -0.399748
C 4.934522 -0.366593 -0.095757
C -5.242306 -0.339067 -0.491160
C -4.201352 0.363701 1.622828
C -5.354966 0.155324 0.829521
H 0.168711 0.790289 -2.044110
H 1.643852 -1.131794 0.669602
H 3.360506 2.686771 -0.559726
H -3.842130 -1.014454 -2.051463
H -2.006386 0.255446 1.691004
H 5.650924 1.588211 -0.697596
H 5.927854 -0.825576 -0.164448
H -6.137373 -0.494078 -1.102044
H -4.293746 0.759288 2.639277
H -6.344290 0.384138 1.240035
H 4.872468 -2.970340 0.526666
H 3.158903 -3.085808 0.834391


