%chk=000287486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287486

0 1
S -3.231631 -1.109725 0.062935
S -2.961675 1.935063 0.454030
O -4.571003 -0.745579 -0.394297
O -2.234257 -1.452893 -0.920436
O -2.680493 2.780131 1.602220
O -2.160810 2.080356 -0.739605
C -2.767979 0.253786 1.089925
C -1.326263 0.122919 1.599842
C -0.237662 0.106986 0.519933
C 1.158846 0.097480 1.154518
C 2.251489 0.049867 0.077200
C -3.374473 -2.445716 1.208791
C -4.661924 2.075648 0.066127
C 3.654072 0.040454 0.699223
C 4.743682 -0.009316 -0.380511
C 6.148008 -0.019103 0.238290
C -3.840702 -3.687461 0.462719
C -4.908918 3.392760 -0.652054
C 7.236214 -0.069066 -0.842456
C 8.642108 -0.078801 -0.225811
C 9.728913 -0.128844 -1.297595
H -3.419790 0.225394 2.002625
H -1.236532 -0.788015 2.226774
H -1.122427 0.967309 2.304241
H -0.336621 0.985654 -0.159011
H -0.353601 -0.767262 -0.158225
H 1.294654 0.999974 1.782682
H 1.265550 -0.768942 1.834060
H 2.144782 0.918668 -0.602494
H 2.113207 -0.844504 -0.561082
H -4.082950 -2.224680 2.030919
H -2.410546 -2.661743 1.714287
H -5.310901 2.010237 0.961851
H -5.031738 1.228436 -0.576822
H 3.791558 0.939929 1.330022
H 3.759501 -0.825676 1.379978
H 4.604749 -0.906166 -1.014554
H 4.637991 0.858009 -1.060864
H 6.286375 0.879409 0.870079
H 6.253317 -0.885651 0.918849
H -3.928256 -4.547946 1.139413
H -3.137583 -3.977325 -0.334364
H -4.827870 -3.543149 -0.002695
H -5.962524 3.484833 -0.950078
H -4.310560 3.476867 -1.573567
H -4.676242 4.261624 -0.019688
H 7.131682 0.797336 -1.523587
H 7.098389 -0.966022 -1.476234
H 8.748402 -0.946002 0.454774
H 8.781727 0.820248 0.405842
H 9.642020 -1.027655 -1.918540
H 10.728224 -0.134939 -0.848671
H 9.674971 0.737203 -1.967106


%chk=000287486-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287486

0 1
S -3.374664 -1.193064 0.056323
S -3.026003 2.067552 0.354013
O -4.921315 -0.782131 -0.328962
O -2.318243 -1.633325 -1.102516
O -2.494104 3.054587 1.553332
O -2.356469 2.149075 -1.128724
C -2.712111 0.275928 1.186122
C -1.264225 0.155372 1.635886
C -0.174553 0.225831 0.537094
C 1.233481 0.051539 1.146886
C 2.356529 0.157100 0.091553
C -3.513911 -2.696342 1.312291
C -4.975984 2.270833 0.191545
C 3.770141 -0.033917 0.685262
C 4.895417 0.084477 -0.366985
C 6.310019 -0.112300 0.223502
C -4.191923 -3.843470 0.570502
C -5.247494 3.324949 -0.873224
C 7.435930 0.010295 -0.827775
C 8.850866 -0.187593 -0.237236
C 9.969186 -0.065822 -1.294977
H -3.455259 0.275907 2.004503
H -1.156150 -0.786644 2.216813
H -1.102896 0.979640 2.363028
H -0.237932 1.201239 0.020182
H -0.356301 -0.547276 -0.231646
H 1.396849 0.820813 1.931013
H 1.302822 -0.934852 1.654467
H 2.296788 1.147221 -0.405184
H 2.185513 -0.598601 -0.702744
H -4.102540 -2.291815 2.151715
H -2.470618 -2.898876 1.601669
H -5.259077 2.557035 1.217179
H -5.304502 1.250687 -0.076391
H 3.936847 0.718081 1.485023
H 3.831798 -1.028385 1.175901
H 4.726459 -0.663339 -1.169915
H 4.836914 1.080215 -0.854100
H 6.477828 0.634182 1.028220
H 6.369388 -1.109606 0.708344
H -4.299848 -4.704951 1.255328
H -3.592052 -4.165855 -0.297528
H -5.196223 -3.550710 0.219868
H -6.340375 3.382968 -1.034857
H -4.775017 3.047141 -1.830681
H -4.887380 4.324398 -0.576522
H 7.378807 1.007569 -1.312397
H 7.269378 -0.735388 -1.633418
H 8.906481 -1.183637 0.248132
H 9.017143 0.558816 0.566390
H 9.841575 -0.820217 -2.094376
H 10.969624 -0.213218 -0.847718
H 9.955887 0.932280 -1.772410


