%chk=000291327.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291327

0 1
S -2.946018 -2.033106 -0.162111
S 1.402960 1.201081 -0.144570
O -0.719045 1.769045 0.079946
C -0.626709 -0.540575 -0.177968
C -1.214387 -1.806954 -0.270385
C -2.840572 0.723195 0.129320
C -1.363457 0.720203 0.015544
C -3.619765 -0.434044 0.063428
C 0.779786 -0.443080 -0.275364
C -0.446346 -2.956534 -0.454160
C 1.564737 -1.583777 -0.459573
C -3.487045 1.964467 0.313859
C -5.016224 -0.381016 0.176473
C 0.947225 -2.833197 -0.547809
C -4.872504 2.029161 0.427311
C -5.637224 0.854115 0.358377
C 3.152763 0.957714 -0.305118
C 3.741233 1.044943 -1.567401
C 3.925931 0.783684 0.843444
C 5.133279 0.954685 -1.680733
C 5.317517 0.694095 0.724020
C 5.919094 0.778987 -0.536421
H -0.909219 -3.940222 -0.525369
H 2.650974 -1.508191 -0.534897
H -2.875042 2.871993 0.365474
H -5.616440 -1.290362 0.123796
H 1.555624 -3.727947 -0.691726
H -5.365379 2.990148 0.569593
H -6.722999 0.908386 0.447682
H 3.128475 1.186178 -2.458139
H 3.456686 0.721930 1.825700
H 5.604187 1.024024 -2.659386
H 5.931477 0.561080 1.612662
H 7.001927 0.710595 -0.626795


%chk=000291327-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291327

0 1
S -2.987127 -2.100421 -0.140705
S 1.540561 1.438822 -0.189317
O -0.987376 1.983057 0.051992
C -0.679875 -0.376278 -0.182666
C -1.215580 -1.701674 -0.261741
C -3.016691 0.727252 0.133922
C -1.531339 0.824205 0.002192
C -3.760666 -0.480328 0.089563
C 0.756109 -0.233726 -0.291625
C -0.394130 -2.836353 -0.444109
C 1.565932 -1.376350 -0.475362
C -3.732804 1.946617 0.316598
C -5.172720 -0.475676 0.224025
C 0.996494 -2.663446 -0.551379
C -5.129003 1.961842 0.450406
C -5.853448 0.741718 0.403912
C 3.343932 0.982792 -0.340034
C 3.973106 1.025875 -1.606086
C 4.103959 0.735997 0.827276
C 5.367663 0.807348 -1.704989
C 5.497895 0.517074 0.724642
C 6.130193 0.551537 -0.540923
H -0.838772 -3.835182 -0.500850
H 2.649250 -1.265637 -0.559769
H -3.141057 2.866893 0.346998
H -5.728633 -1.418966 0.187418
H 1.645630 -3.533744 -0.694597
H -5.657997 2.910015 0.590006
H -6.943896 0.741568 0.507348
H 3.376670 1.231419 -2.501248
H 3.607073 0.718970 1.803071
H 5.855017 0.841850 -2.685667
H 6.086344 0.326721 1.629029
H 7.210788 0.386913 -0.618625


