%chk=000260738.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260738

0 1
S 1.020523 1.596564 0.514373
O -0.201132 0.624769 -0.126209
O 0.739476 1.714341 1.925247
O 1.057938 2.782028 -0.308068
C -2.430382 0.052753 -0.675963
C -2.558183 -1.135129 0.294879
C -3.788831 0.641689 -1.099879
C -1.546279 1.150643 -0.053727
C -3.612049 -2.160409 -0.140910
C -4.816531 0.731188 0.036234
C -5.016146 -1.791106 0.237047
C -5.531479 -0.559577 0.308076
C 2.367859 0.581044 0.221418
C 3.067079 0.674170 -0.988666
C 2.772789 -0.344399 1.191819
C 4.569096 -1.087059 -0.260644
C 4.162377 -0.153466 -1.230830
C 3.867292 -1.174536 0.955239
C 5.747959 -1.965129 -0.511426
H -1.905578 -0.308175 -1.598722
H -2.799123 -0.774196 1.314331
H -1.566915 -1.623694 0.380172
H -4.208259 0.017188 -1.914998
H -3.642106 1.643995 -1.546277
H -1.794290 1.349051 1.004804
H -1.579999 2.090791 -0.635654
H -3.359172 -3.144111 0.306671
H -3.564021 -2.315742 -1.239787
H -5.558783 1.517662 -0.212649
H -4.325166 1.074095 0.971695
H -5.647562 -2.654644 0.459976
H -6.575477 -0.425873 0.601041
H 2.758045 1.404275 -1.746177
H 2.232855 -0.412629 2.143850
H 4.703180 -0.075010 -2.172351
H 4.178777 -1.890220 1.714085
H 5.671691 -2.932328 0.005348
H 5.892319 -2.184250 -1.578873
H 6.673310 -1.484063 -0.155395


%chk=000260738-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000260738

0 1
S 1.032263 1.726511 0.449589
O -0.264698 0.606928 -0.291924
O 0.719433 1.899382 2.031856
O 1.193308 3.034749 -0.495733
C -2.570046 0.132499 -0.858530
C -2.517706 -1.158728 -0.002660
C -4.001323 0.732643 -0.997151
C -1.621389 1.209995 -0.289657
C -3.626774 -2.189362 -0.327675
C -4.864904 0.704174 0.291198
C -4.985038 -1.877967 0.287471
C -5.491929 -0.651476 0.591090
C 2.477224 0.565941 0.199245
C 3.194625 0.651991 -1.004061
C 2.790930 -0.331568 1.231566
C 4.654552 -1.151278 -0.163259
C 4.291278 -0.220655 -1.173345
C 3.892723 -1.192152 1.035258
C 5.853973 -2.062014 -0.348492
H -2.209395 -0.108742 -1.879562
H -2.590080 -0.891223 1.070540
H -1.522991 -1.621615 -0.139733
H -4.546755 0.175402 -1.782202
H -3.917103 1.776839 -1.362075
H -1.906867 1.482242 0.746655
H -1.621387 2.113528 -0.929514
H -3.308497 -3.182944 0.045885
H -3.720531 -2.309555 -1.429350
H -5.685602 1.440067 0.180970
H -4.273303 1.057837 1.162730
H -5.603549 -2.754502 0.533962
H -6.475872 -0.618131 1.082834
H 2.913028 1.380973 -1.770284
H 2.203916 -0.345995 2.155212
H 4.870651 -0.178564 -2.102549
H 4.162301 -1.905375 1.822342
H 5.733375 -3.010471 0.202781
H 6.021789 -2.301388 -1.412782
H 6.775468 -1.577497 0.028451


