%chk=000180281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180281

0 1
S -0.508052 -1.707923 -1.202239
O -1.980277 -1.283707 1.408479
O 0.739224 -0.802083 1.454694
O -3.812468 -1.486559 0.146340
O 3.322699 -0.011359 1.809470
O -2.620214 3.004726 0.006585
N -1.377588 1.148148 0.443314
C -2.213973 0.301594 -0.415558
C -1.466311 -0.228364 -1.640017
C 1.115880 -1.101715 -0.953350
C -2.786928 -0.893030 0.353919
C 1.530349 -0.778074 0.336962
C -1.674481 2.515203 0.597550
C 2.014833 -1.003656 -2.024025
C 2.868064 -0.348353 0.561929
C 3.322741 -0.575669 -1.796927
C 3.760218 -0.244624 -0.505760
C -0.748444 3.257891 1.510989
H -3.104213 0.924564 -0.768254
H -0.824923 0.558777 -2.084746
H -2.181060 -0.530288 -2.435992
H -0.595822 0.699326 0.930604
H 1.691595 -1.266315 -3.032441
H 4.021793 -0.498415 -2.630074
H 4.782479 0.085898 -0.320627
H -1.035738 4.322439 1.554180
H -0.780330 2.874530 2.540770
H 0.297427 3.219988 1.174623
H -2.368071 -2.051531 1.913264
H -0.125287 -1.325812 1.301953
H 2.626277 -0.201906 2.501787


%chk=000180281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180281

0 1
S -0.490660 -1.797216 -1.397800
O -2.194072 -1.470558 1.567479
O 0.674920 -1.126980 1.452609
O -4.098616 -1.487610 0.237561
O 3.064656 -0.008337 2.024736
O -1.792901 2.871525 -0.614581
N -1.384545 0.925264 0.579955
C -2.338885 0.171373 -0.234047
C -1.734484 -0.360232 -1.569862
C 1.093907 -0.932864 -1.007056
C -3.000263 -0.975704 0.519061
C 1.469387 -0.772406 0.344924
C -1.155910 2.267911 0.304068
C 1.972298 -0.506866 -2.032014
C 2.713866 -0.174949 0.681273
C 3.206294 0.092800 -1.691840
C 3.581062 0.260900 -0.338036
C -0.106672 2.949439 1.170998
H -3.137760 0.877403 -0.535184
H -1.233635 0.469884 -2.090962
H -2.533779 -0.773355 -2.208234
H -0.816114 0.431772 1.275029
H 1.687625 -0.653282 -3.077975
H 3.884510 0.425373 -2.483791
H 4.535186 0.717038 -0.058878
H 0.675311 3.376012 0.519779
H -0.575007 3.788944 1.713411
H 0.369617 2.270627 1.898687
H -2.664610 -2.222506 2.020034
H -0.146307 -1.629738 1.176862
H 2.364980 -0.429962 2.591196


