%chk=000272814.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272814

0 1
S 2.846570 0.177015 1.354956
O 0.354623 3.861338 -0.714402
O 5.662577 -2.576573 -2.815141
O -5.895333 -0.818369 -0.450956
O -5.340899 -1.666269 1.460697
N 2.964438 -0.334255 -1.276013
N 0.674594 1.704172 -0.027530
N 3.766755 -2.602329 -1.353366
N -5.210614 -0.855171 0.557943
C 3.062914 0.827910 -0.331609
C 1.782656 1.469516 -0.948538
C 1.656738 0.187596 -1.833940
C 2.925534 -1.670963 -0.602768
C 3.384451 -1.542748 0.893339
C 2.622480 -2.498148 1.787240
C 4.882821 -1.620936 1.093059
C 0.044719 2.951556 0.031058
C -1.036779 3.080312 1.094010
C 4.751965 -2.442439 -2.089199
C -2.119195 2.053770 0.958696
C -2.931579 2.045501 -0.189065
C -2.325861 1.104824 1.973890
C -3.943816 1.098870 -0.324500
C -3.338002 0.154715 1.848466
C -4.140405 0.154579 0.696889
H 4.000700 1.403666 -0.433240
H 1.995817 2.398872 -1.535615
H 0.764632 -0.430168 -1.659975
H 1.747191 0.366777 -2.919400
H 1.892630 -2.131834 -0.647138
H 0.420827 0.947792 0.608093
H 2.832001 -3.543637 1.507687
H 2.910497 -2.395170 2.843399
H 1.534094 -2.364807 1.738523
H 5.260934 -2.637623 0.905320
H 5.434309 -0.943206 0.427249
H 5.175892 -1.363511 2.120986
H -1.475288 4.106601 1.011604
H -0.566375 3.065677 2.101871
H -2.768899 2.784774 -0.977055
H -1.702085 1.110672 2.868186
H -4.586235 1.081533 -1.212934
H -3.514394 -0.588980 2.634322


%chk=000272814-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272814

0 1
S 1.734181 -0.421697 1.346740
O 0.818185 4.302018 -0.675594
O 6.273588 -2.251211 -2.445468
O -5.205929 -1.648598 0.598046
O -4.229821 -1.770079 2.657077
N 3.086462 -0.132833 -1.031446
N 0.569190 2.017585 -0.287311
N 4.087506 -2.351208 -1.373216
N -4.398788 -1.209336 1.505924
C 2.751135 0.702532 0.161033
C 1.895736 1.652552 -0.744800
C 2.017893 0.555587 -1.861011
C 2.978607 -1.596021 -0.810809
C 2.830051 -1.893507 0.734933
C 2.075809 -3.213332 0.968530
C 4.180879 -1.869397 1.476653
C 0.122411 3.328160 -0.265311
C -1.297442 3.565761 0.312961
C 5.184522 -2.223496 -1.902394
C -2.120998 2.334730 0.632267
C -3.031744 1.803904 -0.322068
C -1.981546 1.672443 1.883245
C -3.784054 0.646378 -0.045352
C -2.722098 0.512099 2.179958
C -3.614436 0.013735 1.205944
H 3.594956 1.132871 0.719688
H 2.431191 2.581862 -0.994793
H 1.092769 -0.048494 -1.963435
H 2.363320 0.893439 -2.850347
H 2.058250 -1.972114 -1.305675
H -0.029133 1.268858 0.076172
H 2.643357 -4.045387 0.511502
H 1.972660 -3.423521 2.046982
H 1.066316 -3.191375 0.521404
H 4.802920 -2.726447 1.159610
H 4.748793 -0.943495 1.280058
H 4.012792 -1.944144 2.563912
H -1.811737 4.210984 -0.420821
H -1.147487 4.185393 1.216746
H -3.153611 2.308135 -1.287265
H -1.290019 2.074376 2.632368
H -4.492108 0.229900 -0.766619
H -2.624928 -0.006710 3.137083


