%chk=000238628.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238628

0 1
S 3.251982 1.783014 0.000604
O -3.453810 2.359227 0.000648
C -1.275394 1.426997 0.000406
C -2.778114 1.353047 0.000337
C -3.385284 -0.010704 0.000129
C 1.491075 1.596303 0.000511
C -0.584936 1.473776 -1.216846
C -0.585009 1.473458 1.217710
C 0.811406 1.558313 -1.217922
C 0.811335 1.557991 1.218893
C -2.602357 -1.174668 0.000487
C -4.786458 -0.113158 -0.000429
C 3.809349 0.103677 0.000048
C -3.217232 -2.428957 0.000278
C -5.398202 -1.368607 -0.000651
C -4.613423 -2.526442 -0.000294
C 4.055736 -0.530754 -1.218404
C 4.056240 -0.531358 1.218085
C 4.562728 -1.835069 -1.213973
C 4.563235 -1.835667 1.212798
C 4.814987 -2.485176 -0.000801
H -1.131890 1.451345 -2.159455
H -1.132018 1.450788 2.160281
H 1.355508 1.599230 -2.162460
H 1.355380 1.598654 2.163475
H -1.512792 -1.105627 0.000934
H -5.388382 0.800809 -0.000672
H -2.608965 -3.332107 0.000564
H -6.484545 -1.444404 -0.001092
H 3.861753 -0.021305 -2.162439
H 3.862640 -0.022376 2.162451
H -5.089670 -3.506840 -0.000458
H 4.762186 -2.343000 -2.156098
H 4.763087 -2.344065 2.154587
H 5.210255 -3.500245 -0.001133


%chk=000238628-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238628

0 1
S 3.370700 1.909603 -0.000338
O -3.510167 2.383113 0.001769
C -1.296920 1.416808 0.001111
C -2.812048 1.325623 0.001583
C -3.446835 -0.033346 0.000511
C 1.524480 1.683858 0.000227
C -0.586045 1.488099 -1.222465
C -0.585363 1.488916 1.224237
C 0.820313 1.623883 -1.223744
C 0.821000 1.624663 1.224632
C -2.669183 -1.222862 -0.000291
C -4.866974 -0.124676 0.000331
C 3.927446 0.132685 -0.000297
C -3.303655 -2.484100 -0.001233
C -5.496786 -1.383569 -0.000615
C -4.715624 -2.566791 -0.001399
C 4.161986 -0.529931 -1.227182
C 4.162616 -0.529662 1.226613
C 4.622732 -1.867290 -1.224561
C 4.623362 -1.867021 1.224047
C 4.851992 -2.537891 -0.000242
H -1.128280 1.447260 -2.173649
H -1.127068 1.448727 2.175750
H 1.369018 1.689614 -2.168902
H 1.370242 1.690975 2.169435
H -1.575917 -1.157735 -0.000161
H -5.445008 0.805566 0.000965
H -2.701643 -3.399276 -0.001833
H -6.590236 -1.450298 -0.000748
H 3.992122 -0.000463 -2.170646
H 3.993223 0.000007 2.170048
H -5.206325 -3.546747 -0.002136
H 4.805306 -2.379544 -2.175778
H 4.806429 -2.379068 2.175281
H 5.211510 -3.573031 -0.000220


