%chk=000259047.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259047

0 1
S -1.948710 0.463401 -0.596780
S 3.188670 -1.104983 0.820601
O -1.868423 0.265011 -2.032705
O -1.252728 1.592511 0.001407
O 3.734913 -2.221836 0.075915
O 3.408093 -0.974257 2.247596
N -1.363692 -0.997006 0.126526
N 1.485814 -1.165371 0.608079
C -0.509729 -1.866540 -0.744910
C 0.968194 -1.374232 -0.766195
C -0.794757 -0.839269 1.492393
C 0.647882 -0.285944 1.460976
C -0.605405 -3.322114 -0.282653
C -3.602055 0.505254 -0.090348
C 3.691398 0.363852 0.043786
C -4.017479 1.467084 0.836694
C -4.519608 -0.409403 -0.615063
C 3.659504 1.572476 0.744763
C 4.139196 0.332379 -1.280114
C -5.352933 1.510083 1.245761
C -5.856661 -0.367660 -0.205996
C 4.054231 2.756783 0.114714
C 4.534772 1.514429 -1.912918
C -6.271169 0.591119 0.724320
C 4.487685 2.726728 -1.215291
H -0.911044 -1.796705 -1.796953
H 1.597305 -2.150425 -1.265322
H 1.036068 -0.446448 -1.379450
H -0.802988 -1.841802 1.982966
H -1.445358 -0.178505 2.103051
H 0.635956 0.770443 1.094571
H 1.068188 -0.282883 2.494814
H -1.643645 -3.611670 -0.083920
H -0.202236 -4.002739 -1.040341
H -0.031879 -3.491587 0.640089
H -3.297887 2.191616 1.236580
H -4.199789 -1.155773 -1.348496
H 3.336783 1.595546 1.790699
H 4.192179 -0.619382 -1.820389
H -5.678561 2.258949 1.966272
H -6.572951 -1.079497 -0.613769
H 4.023869 3.699706 0.658668
H 4.880482 1.491075 -2.945227
H -7.313894 0.624329 1.043227
H 4.792198 3.650458 -1.709030


%chk=000259047-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259047

0 1
S -2.010848 0.372555 -0.798536
S 3.265346 -1.154688 0.861431
O -2.072124 -0.050243 -2.373185
O -1.232410 1.735765 -0.322545
O 3.897918 -2.364997 -0.021569
O 3.485618 -0.998004 2.465485
N -1.396847 -1.212007 0.118173
N 1.403304 -1.340052 0.655468
C -0.479334 -2.005200 -0.764078
C 0.979405 -1.451015 -0.757802
C -0.832143 -0.857641 1.451147
C 0.627476 -0.329484 1.412818
C -0.554049 -3.485003 -0.329002
C -3.766322 0.486029 -0.113171
C 3.801789 0.476665 0.049586
C -4.043733 1.532584 0.779803
C -4.718401 -0.446958 -0.555043
C 3.791452 1.640207 0.837106
C 4.192457 0.443885 -1.299695
C -5.365615 1.636580 1.273936
C -6.033065 -0.324628 -0.049978
C 4.184102 2.850677 0.220235
C 4.581687 1.665233 -1.897197
C -6.351927 0.710035 0.862889
C 4.571528 2.861428 -1.140892
H -0.874751 -1.901688 -1.793025
H 1.645194 -2.164950 -1.272729
H 1.003057 -0.471590 -1.288855
H -0.864657 -1.788570 2.046682
H -1.490785 -0.116793 1.938634
H 0.644221 0.676294 0.940180
H 1.026394 -0.272613 2.440249
H -1.605677 -3.811432 -0.267439
H -0.032763 -4.113675 -1.073121
H -0.065466 -3.639944 0.647382
H -3.258676 2.245063 1.054138
H -4.448422 -1.228483 -1.271552
H 3.516058 1.591733 1.895632
H 4.218958 -0.504033 -1.847028
H -5.621335 2.440765 1.971468
H -6.803998 -1.032968 -0.370261
H 4.191015 3.778133 0.802053
H 4.895608 1.679497 -2.946028
H -7.373494 0.797613 1.248204
H 4.874055 3.803122 -1.611370


