%chk=000229252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229252

0 1
S -0.003100 2.292554 0.045352
O 2.385352 -1.913947 -0.155196
O 3.548843 1.977472 0.505492
O 5.514326 -0.134153 0.605237
O 2.031261 -1.117938 -2.279465
O 5.675183 -2.840656 1.043571
O 0.365204 2.814811 -1.257923
O -0.040476 3.134819 1.219778
O -5.754822 -1.011066 1.594283
N 1.110987 1.016105 0.433721
N -5.149812 -0.605482 -0.596956
C 2.032922 0.562929 -0.628104
C 3.525608 0.767734 -0.262835
C 4.101701 -0.374054 0.603049
C 3.815248 -1.742147 -0.047300
C 1.689145 -0.925254 -0.908483
C 4.256898 -2.917795 0.839904
C -1.494034 1.446873 -0.116198
C -2.216244 1.058607 1.018778
C -1.995875 1.159061 -1.391803
C -3.423354 0.375742 0.893481
C -3.200556 0.480191 -1.541969
C -3.922132 0.083357 -0.389949
C -6.013085 -1.113718 0.416253
C -7.244803 -1.776387 -0.128339
H 1.847149 1.134362 -1.593710
H 4.144667 0.907374 -1.179983
H 3.721239 -0.320985 1.646777
H 4.261575 -1.797856 -1.064889
H 0.627943 -1.197056 -0.711686
H 1.603557 1.122313 1.338900
H 3.976520 -3.889983 0.400582
H 3.842376 -2.850225 1.865055
H 4.481357 2.191369 0.751693
H 5.974354 -0.863613 1.110387
H 1.959050 -2.060110 -2.533732
H 6.154304 -3.102802 0.226894
H -1.837852 1.298485 2.019705
H -1.438741 1.478523 -2.282783
H -3.980163 0.073917 1.788638
H -3.577834 0.267192 -2.538613
H -5.427759 -0.733997 -1.573865
H -7.876317 -1.087841 -0.706861
H -7.866959 -2.149353 0.705203
H -7.016753 -2.643771 -0.762690


%chk=000229252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229252

0 1
S 0.102054 2.611030 -0.286050
O 1.918085 -1.444008 -0.633263
O 4.153810 1.957221 0.574397
O 5.108859 -0.618879 1.227929
O 2.666965 -0.421406 -2.680969
O 4.360950 -3.285269 1.499907
O 0.345627 3.036281 -1.847569
O -0.056402 3.706951 0.906425
O -5.335902 -1.301964 1.917602
N 1.491636 1.481609 0.285873
N -4.831323 -0.950062 -0.349953
C 2.389676 1.035531 -0.813199
C 3.777502 0.765070 -0.190855
C 3.738474 -0.463518 0.727665
C 3.262630 -1.700871 -0.064209
C 1.856515 -0.252739 -1.481473
C 3.080845 -2.935752 0.833657
C -1.398876 1.482001 -0.276423
C -1.965853 1.117679 0.954777
C -1.933058 1.085656 -1.513105
C -3.113495 0.299875 0.960963
C -3.081114 0.272518 -1.504886
C -3.675034 -0.130211 -0.275183
C -5.598145 -1.487521 0.696337
C -6.785321 -2.321156 0.217475
H 2.481287 1.804209 -1.606399
H 4.504931 0.575708 -1.004469
H 3.028507 -0.281007 1.562281
H 3.986905 -1.907411 -0.881758
H 0.780100 -0.169062 -1.716233
H 2.039340 2.094852 0.931852
H 2.686686 -3.788539 0.249942
H 2.379785 -2.709232 1.652485
H 4.953825 1.715869 1.110329
H 5.156357 -1.510497 1.678693
H 2.285837 -1.152586 -3.229251
H 4.923381 -3.815627 0.882160
H -1.532021 1.473621 1.894202
H -1.475101 1.429299 -2.446453
H -3.581476 -0.007580 1.897111
H -3.522866 -0.044706 -2.457797
H -5.147903 -1.175812 -1.296407
H -7.491992 -1.709855 -0.373986
H -7.312851 -2.716056 1.097133
H -6.455739 -3.170050 -0.409898


