%chk=000117680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000117680

0 1
S 1.735195 0.168188 -0.564262
O 1.879979 -1.241012 -0.919780
O 2.231138 1.207387 -1.439072
O 4.267153 -1.318439 -0.155272
O -4.215277 -1.558198 0.195745
O -2.509119 -2.832525 -0.187178
N 2.470379 0.444301 0.975194
N -3.024230 -1.743789 0.004328
C 0.047523 0.421254 -0.231781
C -0.475548 1.695467 0.044723
C -1.868465 1.829473 0.316365
C -0.777606 -0.707540 -0.254981
C -2.140605 -0.562805 0.012850
C -2.687705 0.704632 0.296286
C 2.830403 -0.775617 1.739103
C 0.414613 2.885145 0.063415
C -2.473295 3.160028 0.627754
C 4.156186 -1.409051 1.259746
H -0.367399 -1.707766 -0.486646
H 3.266488 1.104619 0.958352
H -3.763715 0.784170 0.499306
H 2.002580 -1.517546 1.674629
H 2.910412 -0.498644 2.815670
H 1.057986 2.891173 0.959714
H 1.098985 2.916109 -0.814025
H -0.117777 3.845320 0.051351
H -2.016705 3.612200 1.520940
H -2.347057 3.866398 -0.207059
H -3.553494 3.098607 0.823979
H 4.240758 -2.460176 1.586122
H 5.038270 -0.842991 1.616222
H 3.598849 -1.916273 -0.611537


%chk=000117680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117680

0 1
S 1.755433 0.111026 -0.680562
O 1.857195 -1.504560 -0.985630
O 2.279637 1.199992 -1.765314
O 4.517354 -1.475332 -0.046909
O -4.393591 -1.531492 0.189320
O -2.622931 -2.880566 -0.314353
N 2.629914 0.518382 0.952929
N -3.140652 -1.729561 -0.050459
C -0.070374 0.409339 -0.237862
C -0.525662 1.716259 0.070525
C -1.928166 1.853711 0.342095
C -0.870079 -0.736433 -0.297224
C -2.235917 -0.552479 -0.015811
C -2.765058 0.715380 0.295533
C 2.930033 -0.715347 1.741986
C 0.418479 2.897538 0.117535
C -2.533624 3.204142 0.679271
C 4.281959 -1.391670 1.388543
H -0.460437 -1.717262 -0.556685
H 3.503587 0.971126 0.606056
H -3.836267 0.798974 0.499529
H 2.096393 -1.427082 1.590637
H 2.917080 -0.419955 2.808867
H 1.243731 2.691893 0.824688
H 0.885952 3.063373 -0.869883
H -0.090221 3.820167 0.428467
H -2.094692 3.629656 1.600591
H -2.368540 3.937798 -0.130761
H -3.620955 3.117341 0.836351
H 4.315013 -2.389038 1.877306
H 5.122624 -0.790084 1.777906
H 3.711682 -1.853136 -0.506480


