%chk=000220266.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220266

0 1
S 1.504129 -1.288590 -0.020311
O 1.102950 -1.508982 -1.405598
O 1.651702 -2.425690 0.872273
C -0.860235 0.116684 -0.153724
C 0.366928 -0.155945 0.733030
C -1.886642 -0.993512 -0.005169
C -1.482694 1.475709 0.118877
C 2.998064 -0.408181 -0.026360
C -1.862134 -2.065460 -0.913488
C -2.848901 -0.982170 1.011876
C -2.068899 2.167893 -0.954368
C -1.501546 2.053310 1.396507
C 3.909493 -0.570565 1.021537
C 3.313763 0.432853 -1.097945
C -2.788216 -3.101321 -0.808465
C -3.779344 -2.019593 1.118834
C -3.757413 -3.086444 0.209476
C -2.654438 3.419393 -0.752029
C -2.086524 3.307918 1.594955
C 5.115543 0.130617 1.020457
C 4.517136 1.138154 -1.107967
C 5.426362 0.993666 -0.044944
C -2.662094 3.995057 0.522925
C -4.742118 -4.205609 0.317270
C 6.721106 1.734694 -0.060181
H -0.515626 0.122599 -1.231484
H 0.027353 -0.555540 1.714109
H 0.861552 0.802382 0.986736
H -1.096674 -2.097073 -1.698913
H -2.884691 -0.159692 1.724950
H -2.076296 1.723829 -1.949339
H -1.068913 1.526963 2.244764
H 3.682027 -1.260387 1.843027
H 2.620036 0.531747 -1.940235
H -2.754184 -3.928303 -1.515062
H -4.521475 -1.995100 1.913254
H -3.108013 3.947038 -1.589720
H -2.095462 3.748428 2.590561
H 5.819525 -0.000096 1.839808
H 4.755942 1.792133 -1.944212
H -3.117165 4.970526 0.679024
H -5.518308 -4.017733 1.069509
H -5.254385 -4.384349 -0.638275
H -4.239645 -5.143219 0.597539
H 7.488295 1.161855 -0.605736
H 6.640223 2.712474 -0.555275
H 7.116406 1.917732 0.948499


%chk=000220266-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220266

0 1
S 1.495169 -1.139525 -0.396718
O 1.094840 -1.035229 -1.989221
O 1.583998 -2.582701 0.369223
C -1.047419 0.211782 -0.229374
C 0.239497 0.023446 0.595257
C -2.027624 -0.961200 -0.023538
C -1.677560 1.583046 0.040395
C 3.178394 -0.294614 -0.195348
C -1.886379 -2.135555 -0.807861
C -3.047712 -0.924953 0.958048
C -2.356606 2.249347 -1.011913
C -1.638662 2.200738 1.317450
C 4.026909 -0.760090 0.820452
C 3.535777 0.720739 -1.097046
C -2.739062 -3.240399 -0.607175
C -3.898288 -2.036377 1.154640
C -3.757760 -3.214869 0.380419
C -2.975692 3.500112 -0.798080
C -2.253831 3.454827 1.534822
C 5.293827 -0.147759 0.951623
C 4.806835 1.317524 -0.944131
C 5.699158 0.896795 0.078985
C -2.925312 4.109403 0.477773
C -4.660873 -4.416843 0.599370
C 7.074837 1.525324 0.208635
H -0.733227 0.192542 -1.295383
H 0.123117 -0.529194 1.540547
H 0.818037 0.953104 0.721600
H -1.102300 -2.180420 -1.573540
H -3.197555 -0.020599 1.558078
H -2.399923 1.780776 -2.002621
H -1.129327 1.703432 2.152134
H 3.711731 -1.587428 1.465359
H 2.856015 1.013081 -1.904405
H -2.609484 -4.138428 -1.223927
H -4.686274 -1.984755 1.916363
H -3.493276 4.000193 -1.624450
H -2.211922 3.917250 2.527597
H 5.976936 -0.490046 1.737516
H 5.112253 2.114163 -1.632444
H -3.403003 5.081243 0.644773
H -5.482135 -4.184433 1.299256
H -5.110852 -4.762381 -0.349828
H -4.094188 -5.270150 1.018823
H 7.798560 1.026948 -0.464923
H 7.059648 2.595432 -0.062418
H 7.467204 1.436802 1.236203


