%chk=000250798.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250798

0 1
S -2.471975 1.625525 0.579636
O -2.575748 1.348764 2.002522
O -3.591708 2.183041 -0.141850
O 8.319773 -0.479849 -0.172362
N 1.903068 -1.735048 0.564694
N 4.689758 -1.287331 -0.132867
N -1.236227 0.504195 -2.636549
C 0.697968 -2.596642 0.808720
C 2.383404 -1.856166 -0.851417
C 3.013733 -2.114601 1.501011
C -2.051228 0.018114 -0.207017
C -0.535879 -2.029522 0.086023
C -0.878119 -0.617678 0.578126
C 3.581201 -0.911206 -1.071724
C 4.210041 -1.166563 1.283775
C 5.899729 -0.437164 -0.364435
C -3.288583 -0.856510 -0.142063
C -1.079187 2.616973 0.310372
C -1.614603 0.290256 -1.565226
C 7.131761 -1.237278 0.096962
C -3.885159 -1.372342 -1.301553
C -3.839891 -1.169172 1.113212
C -0.988210 3.396404 -0.847793
C -0.069820 2.677219 1.277630
C -5.017660 -2.188131 -1.205878
C -4.969407 -1.983996 1.201293
C -5.561447 -2.498264 0.042601
C 0.126538 4.214757 -1.053007
C 1.044720 3.495088 1.074383
C 1.143121 4.261093 -0.093106
H 0.850796 -3.653691 0.498890
H 0.504502 -2.614308 1.904679
H 2.673145 -2.895565 -1.120511
H 1.553810 -1.556919 -1.529157
H 2.646719 -2.004914 2.543551
H 3.345413 -3.168381 1.373001
H -0.366302 -2.020880 -1.009378
H -1.396833 -2.709088 0.250837
H -1.129472 -0.653076 1.660627
H 0.032249 0.017575 0.492936
H 3.949734 -1.029170 -2.113218
H 3.252004 0.143881 -0.951229
H 3.917370 -0.127936 1.552621
H 5.039062 -1.462085 1.961341
H 5.997828 -0.206147 -1.446635
H 5.871443 0.544696 0.154310
H 7.165907 -1.367517 1.194011
H 7.191556 -2.223944 -0.393986
H -3.487524 -1.142712 -2.289625
H -3.400967 -0.761139 2.031274
H -1.790727 3.374361 -1.594732
H -0.155763 2.092718 2.200876
H -5.477319 -2.578144 -2.113325
H -5.393597 -2.213590 2.178365
H -6.444201 -3.130706 0.114194
H 0.199936 4.815927 -1.958800
H 1.832070 3.539628 1.825469
H 8.481981 -0.421769 -1.132903
H 2.013216 4.899733 -0.252694


%chk=000250798-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250798

0 1
S -2.195730 1.525318 0.658267
O -2.008918 1.177298 2.254298
O -3.526582 2.303750 0.106813
O 8.111907 0.440195 0.519630
N 1.937172 -2.032542 0.450030
N 4.628904 -1.023641 0.045950
N -1.508045 0.242478 -2.847565
C 0.819774 -3.000852 0.538731
C 2.507384 -1.892115 -0.912851
C 3.012753 -2.295566 1.435991
C -2.070737 -0.512952 -0.376944
C -0.469331 -2.504609 -0.158984
C -0.863560 -1.095725 0.353348
C 3.551045 -0.762578 -0.939883
C 4.052543 -1.163602 1.406194
C 5.722482 -0.026046 -0.018744
C -3.438313 -1.037678 -0.124800
C -0.677604 2.522648 0.124825
C -1.785428 -0.104171 -1.735917
C 7.046743 -0.574788 0.553911
C -4.493697 -0.778676 -1.046146
C -3.736404 -1.734316 1.082012
C -0.790558 3.340594 -1.012118
C 0.490441 2.409695 0.898364
C -5.800414 -1.232411 -0.784671
C -5.045150 -2.184779 1.339613
C -6.081690 -1.939705 0.407424
C 0.348240 4.085860 -1.396541
C 1.618195 3.161783 0.495195
C 1.545946 3.992948 -0.648369
H 1.095790 -3.998247 0.111363
H 0.607021 -3.159286 1.614185
H 2.990699 -2.843768 -1.248516
H 1.699822 -1.648921 -1.626655
H 2.562947 -2.353070 2.444820
H 3.533327 -3.264663 1.231588
H -0.328010 -2.477530 -1.256429
H -1.279703 -3.232226 0.036062
H -1.069615 -1.126281 1.439101
H 0.018676 -0.443001 0.223556
H 3.998456 -0.704793 -1.949474
H 3.029562 0.207493 -0.735661
H 3.558457 -0.212458 1.734110
H 4.858784 -1.393827 2.125359
H 5.882296 0.233838 -1.084864
H 5.468336 0.925160 0.512510
H 6.949759 -0.823151 1.623217
H 7.332848 -1.494524 0.004112
H -4.284959 -0.221430 -1.965885
H -2.953212 -1.914516 1.823695
H -1.735248 3.404112 -1.561111
H 0.502473 1.781899 1.795282
H -6.601193 -1.026973 -1.502649
H -5.262536 -2.717319 2.271619
H -7.099582 -2.288667 0.613092
H 0.296568 4.735030 -2.276647
H 2.543056 3.106383 1.079041
H 8.327419 0.650383 -0.423995
H 2.422398 4.575344 -0.952983


