%chk=000236056.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236056

0 1
S -1.648952 1.230047 -0.016390
O -2.896600 1.119767 0.717863
O -0.679830 2.279258 0.299849
O 3.381591 -0.411361 -0.938749
N -1.361538 -1.513072 0.006295
N 0.896658 -1.772962 0.041073
N 1.536782 0.622511 0.084328
N -2.131263 1.482913 -1.641211
N 3.720413 1.530139 0.239369
C -0.806993 -0.221900 -0.003969
C 0.606908 -0.415699 0.019534
C -0.317819 -2.414832 0.023418
C -2.795463 -1.805522 0.001939
C 2.927530 0.470481 -0.246114
H -0.427736 -3.492697 0.029425
H -3.357554 -1.061700 0.619079
H -3.206532 -1.759469 -1.025269
H -3.000847 -2.806255 0.418181
H 1.148048 1.573532 0.290520
H -1.510743 1.986187 -2.270216
H -3.093160 1.759169 -1.823559
H 4.723031 1.424473 0.144198
H 3.426171 2.103894 1.013207


%chk=000236056-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236056

0 1
S -1.621687 1.317337 -0.013694
O -2.870242 1.345709 1.031393
O -0.430991 2.453711 0.070055
O 3.624021 -0.660174 -0.447513
N -1.356046 -1.508944 -0.041579
N 0.901066 -1.841893 0.042109
N 1.630650 0.526879 0.093446
N -2.462828 1.333878 -1.660490
N 3.710818 1.553904 0.283007
C -0.731696 -0.245066 -0.030683
C 0.669906 -0.469293 0.024096
C -0.323721 -2.420942 -0.000749
C -2.802663 -1.778454 -0.089132
C 3.037671 0.377019 -0.049464
H -0.493729 -3.495314 0.000388
H -3.302580 -1.340088 0.790560
H -3.239264 -1.339216 -1.001846
H -2.952764 -2.869132 -0.095957
H 1.222017 1.474570 0.169286
H -1.787430 1.614609 -2.392263
H -3.273493 1.973756 -1.593235
H 4.720755 1.551736 0.164492
H 3.264331 2.352308 0.730574


