%chk=000148614.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148614

0 1
 S    5.120300     -0.5447000      -1.065900    
 O    6.278600      -1.193200      -1.651500    
 O    4.326300      0.3868000      -1.842400    
 N   -1.038300     -0.2839000       1.342500    
 N    4.124700      -1.752900     -0.3481000    
 N   -4.517200      0.7243000     -0.7669000    
 C   -2.218100      5.8100000E-02  0.6272000    
 C   -2.458500       1.392300      0.2840000    
 C   -3.128200     -0.9428000      0.2726000    
 C    5.685700      0.3033000      0.3921000    
 C   -3.637300       1.684500     -0.4230000    
 C   -4.280700     -0.5593000     -0.4341000    
 C   0.2469000     -0.6498000      0.9215000    
 C    6.612200       1.454900      3.8199998E-02
 C    2.814800      -1.380600      8.0300003E-02
 C   -1.561000       2.418500      0.6274000    
 C   -2.911900      -2.291600      0.6043000    
 C    1.242800     -0.9393000       1.861200    
 C   0.5478000     -0.7294000     -0.4430000    
 C    2.522400      -1.303500       1.442000    
 C    1.827400      -1.093600     -0.8622000    
 C   -3.882300       3.011000     -0.7675000    
 C   -5.190700      -1.551200     -0.7900000    
 C    7.112400       2.168600       1.282900    
 C   -1.829400       3.736700      0.2711000    
 C   -3.837200      -3.264000      0.2368000    
 C   -2.992500       4.033200     -0.4278000    
 C   -4.978900      -2.892600     -0.4618000    
 H    6.200000     -0.4304000       1.021000    
 H    4.805800      0.6803000      0.9219000    
 H   -1.167900     -0.2538000       2.349600    
 H    7.471600       1.086100     -0.5338000    
 H    6.091700       2.174200     -0.6047000    
 H    4.609400      -2.390200      0.2982000    
 H  -0.6447000       2.222300       1.177900    
 H   -2.032200      -2.615900       1.154100    
 H    1.030200     -0.8830000       2.926000    
 H  -0.2021000     -0.5141000      -1.199700    
 H    3.284200      -1.523600       2.185400    
 H    2.036000      -1.161700      -1.926700    
 H   -4.786900       3.268900      -1.315300    
 H   -6.093100      -1.285500      -1.337700    
 H    7.671500       1.484600       1.929400    
 H    6.279000       2.582500       1.859400    
 H    7.776600       2.993300       1.006100    
 H   -1.135300       4.527500      0.5384000    
 H   -3.668400      -4.304800      0.4952000    
 H   -3.211700       5.058700     -0.7105000    
 H   -5.707500      -3.643400     -0.7532000    


%chk=000148614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148614

0 1
S 5.355844 -1.591766 -0.593508
O 6.743571 -2.421462 -0.399578
O 4.744547 -1.299204 -2.070895
N -0.897879 0.092191 1.556907
N 3.946752 -2.645656 0.403799
N -4.345806 0.989525 -0.867149
C -2.007125 0.361179 0.714726
C -2.513710 1.700999 0.662421
C -2.684433 -0.670327 -0.012858
C 5.566600 0.158060 0.277045
C -3.714413 1.954233 -0.127102
C -3.839443 -0.283718 -0.821904
C 0.300954 -0.583965 1.246216
C 6.310030 1.104057 -0.667792
C 2.770157 -1.922204 0.714364
C -1.886198 2.809580 1.331868
C -2.332337 -2.064039 0.055007
C 1.195870 -0.905062 2.308739
C 0.668307 -0.923437 -0.089830
C 2.422562 -1.533913 2.043664
C 1.872519 -1.594384 -0.346727
C -4.262017 3.285001 -0.155624
C -4.522772 -1.293255 -1.588410
C 6.446054 2.509300 -0.032163
C -2.440718 4.086736 1.275372
C -3.032520 -3.014330 -0.683388
C -3.649003 4.324996 0.535910
C -4.126835 -2.624792 -1.529457
H 6.118755 -0.092155 1.198039
H 4.532453 0.474113 0.493903
H -0.903761 0.578640 2.456395
H 7.311624 0.693566 -0.893740
H 5.759887 1.171560 -1.623992
H 4.481155 -2.960204 1.237673
H -0.939764 2.660150 1.864088
H -1.508218 -2.381759 0.699063
H 0.921627 -0.657587 3.341760
H 0.005581 -0.665510 -0.920478
H 3.105711 -1.760832 2.872227
H 2.146166 -1.877288 -1.367600
H -5.170056 3.434465 -0.747520
H -5.368634 -0.962608 -2.198600
H 7.011078 2.473521 0.917374
H 5.455968 2.956321 0.173336
H 6.985444 3.183589 -0.720978
H -1.945771 4.921378 1.783802
H -2.751298 -4.070766 -0.616116
H -4.073716 5.334196 0.505890
H -4.656490 -3.385334 -2.113278


