%chk=000271830.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271830

0 1
S 2.683361 -1.136679 0.662766
O -2.724841 -0.951843 -0.162216
O 1.956281 0.332942 0.090382
O -5.010989 -2.123023 -0.310558
O 2.108052 -2.199128 -0.112406
O 2.530678 -1.085339 2.086509
O -6.246651 -0.220408 -0.384766
C -2.068303 1.275055 -0.152276
C -3.511244 1.236359 -0.241172
C -1.645571 -0.088583 -0.105375
C -1.085341 2.291609 -0.109673
C -3.864731 -0.097755 -0.245375
C 0.612046 0.536871 0.029912
C -0.315203 -0.502469 -0.018780
C 0.248423 1.910836 -0.018085
C -4.439002 2.377779 -0.313680
C -1.471431 3.729497 -0.158203
C -5.160031 -0.760995 -0.316216
C 4.279020 -0.783325 0.176382
C 5.141681 -0.093506 1.039301
C 4.731103 -1.179382 -1.091322
C 6.902275 -0.198964 -0.626879
C 6.446031 0.196617 0.642959
C 6.033232 -0.891863 -1.491402
C -6.228909 -2.936040 -0.347853
C 8.293262 0.107130 -1.065144
C -6.870867 -2.963204 1.023297
H -0.052315 -1.561316 -0.020949
H 1.047013 2.647927 0.020952
H -5.494422 2.043559 -0.370500
H -4.353969 3.026579 0.570910
H -4.249864 2.999187 -1.201678
H -2.030602 3.959753 -1.077800
H -2.120759 3.993683 0.690620
H -0.606579 4.406113 -0.126573
H 4.793668 0.214899 2.032830
H 4.060272 -1.722787 -1.768171
H 7.110862 0.731672 1.319728
H 6.380347 -1.202536 -2.476048
H -6.900114 -2.532419 -1.126213
H -5.807441 -3.911638 -0.653582
H 8.846790 -0.810564 -1.318776
H 8.299270 0.741095 -1.965884
H 8.882189 0.633516 -0.301280
H -7.683279 -3.696647 1.073199
H -6.139748 -3.216602 1.802752
H -7.292549 -1.980465 1.283336


%chk=000271830-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271830

0 1
S 2.925751 0.082739 1.253759
O -2.740736 -0.841213 -0.592404
O 1.909332 0.650748 -0.438787
O -5.046196 -2.139653 -0.863555
O 2.295553 -1.327503 1.767494
O 3.060164 1.346790 2.270861
O -6.345820 -0.264468 -0.336923
C -2.214161 1.358685 -0.042305
C -3.663668 1.229831 -0.036894
C -1.694168 0.070130 -0.386073
C -1.297954 2.434791 0.212709
C -3.934696 -0.102614 -0.370850
C 0.555588 0.842549 -0.269889
C -0.338342 -0.239568 -0.497239
C 0.071371 2.146276 0.094287
C -4.685258 2.295140 0.262016
C -1.761603 3.827036 0.595717
C -5.218173 -0.805055 -0.511431
C 4.571961 -0.223435 0.422478
C 5.503407 0.825631 0.391874
C 4.809518 -1.491829 -0.133974
C 7.043402 -0.685679 -0.805872
C 6.748696 0.576389 -0.227334
C 6.060525 -1.711692 -0.746078
C -6.296544 -2.950697 -0.998926
C 8.380913 -0.945171 -1.473495
C -6.726172 -3.511887 0.359378
H 0.031394 -1.236048 -0.746616
H 0.818893 2.925153 0.276636
H -5.703139 1.885172 0.188249
H -4.542171 2.704747 1.278645
H -4.592816 3.139342 -0.445651
H -2.400222 4.274447 -0.187962
H -2.353343 3.813638 1.529299
H -0.900095 4.496342 0.753411
H 5.270778 1.791973 0.849917
H 4.051931 -2.279182 -0.072932
H 7.498021 1.374962 -0.261064
H 6.276963 -2.692759 -1.184412
H -7.084490 -2.315227 -1.440059
H -6.006076 -3.746367 -1.703007
H 8.906934 -1.792651 -0.996197
H 8.249181 -1.205213 -2.540364
H 9.041194 -0.063666 -1.419963
H -7.591456 -4.187359 0.224550
H -5.906825 -4.087727 0.822604
H -7.026244 -2.700648 1.043372


