%chk=000158997.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158997

1 1
 S    4.467700      -1.110400      0.4207000    
 O   -2.278800      0.9941000      0.2867000    
 O    5.528900      -1.874700     -0.5542000    
 O   -2.270200      -3.337400      0.3331000    
 O    3.892700      -2.079600       1.335700    
 O    5.076100      0.1176000      0.8998000    
 N  -0.2145000      0.8265000     -0.6478000    
 C   0.9679000      0.2664000      -1.233700    
 C    2.016200     -0.1132000     -0.1916000    
 C  -0.4551000       2.157700     -0.3859000    
 C    3.271200     -0.7080000     -0.8131000    
 C   -1.296200      0.2002000     -0.2415000    
 C   -1.724100       2.259000      0.1884000    
 C   0.3288000       3.288800     -0.6010000    
 C   -1.432300      -1.202900     -0.3446000    
 C   -2.290300       3.464800      0.5802000    
 C  -0.2233000       4.518300     -0.2129000    
 C   -1.501200       4.602500      0.3634000    
 C   -2.203300      -1.964000      0.4676000    
 C   -3.015100      -1.391700       1.589900    
 C   -3.308000      -3.703000     -0.5545000    
 C   -3.337100      -5.210900     -0.6847000    
 H    1.396700       1.003600      -1.924500    
 H   0.7212000     -0.5930000      -1.864900    
 H    1.579400     -0.8264000      0.5181000    
 H    2.279000      0.7734000      0.3987000    
 H    3.736500     -5.7999999E-03  -1.511600    
 H    3.024800      -1.631500      -1.347200    
 H    1.318100       3.242500      -1.041600    
 H  -0.8673000      -1.729100      -1.107900    
 H   -3.275900       3.525500       1.024300    
 H   0.3528000       5.428800     -0.3609000    
 H   -1.889200       5.577700      0.6494000    
 H   -3.324600      -2.187500       2.277300    
 H   -2.444800     -0.6757000       2.189800    
 H   -3.925300     -0.9173000       1.210000    
 H    5.242000      -2.758800     -0.8834000    
 H   -4.276800      -3.356800     -0.1735000    
 H   -3.141300      -3.262700      -1.545500    
 H   -4.131300      -5.529600      -1.365600    
 H   -2.378800      -5.584300      -1.060900    
 H   -3.500100      -5.679500      0.2915000    


%chk=000158997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158997

1 1
S 4.258273 -1.633735 0.351058
O -2.164930 1.204094 0.330702
O 5.185003 -2.559847 -0.952804
O -2.352704 -3.139026 -0.307660
O 3.201648 -2.600274 1.105418
O 5.255035 -0.696504 1.208739
N -0.153568 1.095159 -0.689372
C 1.064530 0.552824 -1.330818
C 2.045136 -0.028424 -0.279973
C -0.350997 2.458760 -0.332345
C 3.293640 -0.597387 -0.959863
C -1.241055 0.355528 -0.275232
C -1.612272 2.524628 0.299016
C 0.430698 3.615501 -0.502026
C -1.421426 -1.035051 -0.421882
C -2.176960 3.700153 0.792531
C -0.118838 4.823041 -0.009982
C -1.391396 4.867488 0.621982
C -2.507001 -1.815687 -0.006406
C -3.746472 -1.349466 0.704470
C -3.389224 -4.167290 0.072108
C -2.851364 -5.512334 -0.393265
H 1.530464 1.374675 -1.899992
H 0.767077 -0.219451 -2.062379
H 1.541742 -0.836232 0.285205
H 2.325783 0.757658 0.444374
H 4.031470 0.145542 -1.298124
H 3.081843 -1.338149 -1.747056
H 1.412680 3.600861 -0.982750
H -0.611838 -1.583654 -0.911850
H -3.155582 3.721332 1.277092
H 0.453781 5.748831 -0.118029
H -1.775001 5.824322 0.987367
H -3.830337 -1.833057 1.696253
H -3.743963 -0.263099 0.848832
H -4.651637 -1.626932 0.132554
H 5.900280 -3.111098 -0.521828
H -3.524903 -4.129805 1.168517
H -4.337053 -3.900216 -0.430318
H -3.578244 -6.302934 -0.134856
H -2.702517 -5.526437 -1.485392
H -1.894701 -5.750708 0.099581


