%chk=000186339.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186339

0 1
S 3.263361 -1.648421 -0.103940
O 3.218140 -0.001443 0.324754
O -2.368485 1.599740 1.413821
O 4.528852 -1.893926 0.933868
O -3.437915 -1.430372 -1.531239
O 2.089689 -2.279755 0.391006
O 3.705162 -1.769640 -1.442379
O -5.435694 -1.213569 -0.541750
N -2.035926 -0.458614 0.487021
C -0.252500 1.212514 0.337560
C 0.826424 0.344947 0.539593
C 2.087586 0.764177 0.102047
C -0.067764 2.463156 -0.265920
C -1.635630 0.847466 0.796021
C 2.302711 2.006143 -0.514286
C 1.208801 2.854567 -0.688438
C -3.403832 -0.895660 0.795555
C -4.235679 -1.170286 -0.440670
H 0.693295 -0.621671 1.036774
H -0.919926 3.135793 -0.392148
H 3.305157 2.289352 -0.833591
H 1.349135 3.830654 -1.156270
H -1.507171 -1.055215 -0.148801
H -3.928571 -0.114913 1.419291
H -3.375343 -1.825653 1.418930
H 4.797109 -1.116532 1.473971
H -3.965187 -1.617741 -2.355479


%chk=000186339-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186339

0 1
S 3.179187 -1.630348 -0.926058
O 3.026709 -0.103036 0.523398
O -2.608628 2.155341 0.715432
O 3.944103 -2.650724 0.381766
O -2.718161 -2.562751 -0.336649
O 1.672235 -2.130094 -1.236761
O 4.240635 -1.530452 -2.131138
O -5.003106 -2.431639 0.098888
N -2.193492 -0.074225 0.230350
C -0.304495 1.497052 0.306593
C 0.680041 0.501727 0.460876
C 2.061693 0.843219 0.319208
C 0.091721 2.839558 0.048345
C -1.783682 1.225822 0.438053
C 2.447860 2.182876 0.001844
C 1.458486 3.177065 -0.101350
C -3.608992 -0.424185 0.354878
C -3.886406 -1.884184 0.041084
H 0.431750 -0.536096 0.706097
H -0.694473 3.597911 -0.028250
H 3.512114 2.406124 -0.122936
H 1.743389 4.213334 -0.308129
H -1.561554 -0.804154 -0.107791
H -4.232001 0.198471 -0.317436
H -3.980282 -0.211355 1.375647
H 3.807517 -2.117507 1.221796
H -2.916368 -3.512654 -0.552458


