%chk=000201711.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201711

0 1
S 2.014129 1.126087 -0.020519
O -1.780294 -1.759003 0.002590
O -5.094847 0.841242 0.034254
O 5.385130 -0.733773 -0.050671
O 4.831053 1.365871 -0.042322
N -0.596776 0.302336 -0.001255
N -2.897543 0.308770 0.016232
N 1.174644 -1.367733 -0.018642
N 4.569961 0.171288 -0.042550
C -0.966544 1.753724 0.005091
C -2.512284 1.754427 0.016791
C -1.770059 -0.559907 0.005493
C 0.715311 -0.098293 -0.012555
C -4.294158 -0.063718 0.025996
C -4.579528 -1.520507 0.024740
C 3.176674 -0.161725 -0.032231
C 2.557491 -1.401311 -0.029718
H -0.564206 2.264924 -0.898060
H -0.550497 2.260391 0.904574
H -2.929856 2.259366 0.915749
H -2.943432 2.263640 -0.873290
H -4.141242 -2.040319 0.896276
H -4.154277 -2.036275 -0.855621
H -5.665350 -1.710150 0.032388
H 3.065299 -2.370952 -0.035638


%chk=000201711-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201711

0 1
S 2.023491 1.261394 -0.019466
O -1.728479 -1.797694 0.002087
O -5.115930 0.841657 0.034344
O 5.389048 -0.916796 -0.051224
O 5.008898 1.352913 -0.042589
N -0.610843 0.331691 -0.001299
N -2.883578 0.298703 0.016170
N 1.165907 -1.316097 -0.019188
N 4.607712 0.116887 -0.042302
C -0.995046 1.763971 0.004973
C -2.547432 1.742112 0.016814
C -1.749758 -0.554074 0.005686
C 0.710209 -0.063233 -0.012579
C -4.256669 -0.081701 0.026172
C -4.597715 -1.555419 0.025093
C 3.193130 -0.120065 -0.031938
C 2.547364 -1.353408 -0.029983
H -0.596216 2.268107 -0.893657
H -0.582487 2.264015 0.899687
H -2.972838 2.226768 0.910202
H -2.986396 2.230749 -0.867812
H -4.166655 -2.069734 0.901057
H -4.181186 -2.065117 -0.860554
H -5.693711 -1.645922 0.033822
H 3.067982 -2.311306 -0.036414


