%chk=000296563.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296563

0 1
I 2.491339 2.911092 0.000019
S -0.917207 1.632033 0.000420
O -0.935476 2.351957 -1.259191
O -0.935732 2.351509 1.260291
C -2.235674 0.503167 0.000095
C -2.783300 0.065772 1.209907
C -2.782378 0.065358 -1.209998
C -4.388989 -1.291673 -0.000415
C 0.474535 0.569494 0.000402
C -3.850000 -0.833261 1.214644
C -3.849060 -0.833669 -1.215238
C 1.751017 0.911943 0.000242
C 2.870264 -0.043252 0.000245
C -5.540578 -2.240239 -0.000825
C 3.401639 -0.497986 -1.217214
C 3.401480 -0.498153 1.217707
C 4.458378 -1.411420 -1.211610
C 4.458226 -1.411584 1.212115
C 4.986449 -1.869326 0.000256
H -2.381471 0.438406 2.159505
H -2.379843 0.437681 -2.159410
H 0.224283 -0.502907 0.000586
H -4.271304 -1.170062 2.159623
H -4.269667 -1.170812 -2.160405
H -6.495006 -1.689338 -0.005027
H -5.546719 -2.896331 -0.882219
H -5.551678 -2.891428 0.884132
H 2.996073 -0.131677 -2.160553
H 2.995790 -0.131977 2.161045
H 4.873995 -1.764225 -2.154832
H 4.873723 -1.764513 2.155344
H 5.811994 -2.579678 0.000259


%chk=000296563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296563

0 1
I 2.473066 3.039984 -0.000274
S -0.933655 1.755796 0.000212
O -0.999546 2.549804 -1.424466
O -0.999753 2.549487 1.425061
C -2.343118 0.477009 -0.000014
C -2.854598 0.055392 1.236157
C -2.854041 0.055158 -1.236363
C -4.474460 -1.335971 -0.000340
C 0.579344 0.585257 0.000229
C -3.927756 -0.863499 1.222487
C -3.927175 -0.863720 -1.223023
C 1.873045 0.964297 0.000069
C 2.987064 -0.025603 0.000176
C -5.652071 -2.293359 -0.000601
C 3.516149 -0.503690 -1.227363
C 3.515144 -0.504508 1.227829
C 4.556593 -1.457848 -1.223436
C 4.555603 -1.458654 1.224118
C 5.078267 -1.937611 0.000396
H -2.444999 0.453726 2.170494
H -2.444024 0.453330 -2.170585
H 0.253104 -0.461351 0.000420
H -4.349420 -1.211537 2.172372
H -4.348406 -1.211938 -2.173041
H -6.608248 -1.735735 -0.004804
H -5.647911 -2.943300 -0.892377
H -5.652590 -2.938077 0.894935
H 3.114149 -0.124061 -2.172700
H 3.112369 -0.125506 2.173088
H 4.958978 -1.825205 -2.173516
H 4.957224 -1.826631 2.174281
H 5.886777 -2.676537 0.000480


