%chk=000257325.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257325

0 1
S -3.143222 -0.334802 0.115420
S -3.132369 2.621648 -0.648004
O 1.446242 0.936980 -2.477315
O 0.891293 -0.980795 1.904018
O 4.262083 -2.273437 -0.874884
O -5.075258 1.065244 -0.983849
N 2.836748 -0.642305 -1.666819
N 2.549169 -1.602652 0.514445
C 0.969975 0.247192 -0.194789
C 1.171749 1.647316 0.435265
C -0.519685 -0.011302 -0.553890
C 2.640100 1.982207 0.717566
C 1.726964 0.240509 -1.531124
C 1.421275 -0.795760 0.830764
C -1.463826 0.115080 0.629834
C 2.767841 3.369255 1.365845
C 3.299816 -1.562834 -0.691614
C 4.225337 3.721933 1.649335
C -3.838244 1.157814 -0.538300
C -5.833277 -0.208120 -0.933399
C -7.162240 0.183965 -1.539514
H 0.729798 2.410168 -0.243844
H 0.583559 1.709828 1.375833
H -0.811852 0.720021 -1.349639
H -0.610719 -1.014388 -1.021810
H 3.093213 1.222304 1.383863
H 3.232400 1.960842 -0.218607
H -1.448408 1.139549 1.063785
H -1.193463 -0.575219 1.464893
H 2.319278 4.137944 0.704940
H 2.185447 3.402180 2.308124
H 3.356850 -0.618359 -2.560843
H 2.860646 -2.285501 1.226509
H 4.825225 3.740858 0.731932
H 4.692782 3.003664 2.332796
H 4.308374 4.712685 2.112019
H -5.287523 -0.955132 -1.535192
H -5.914407 -0.516070 0.123463
H -7.645905 0.988884 -0.965845
H -7.041948 0.565095 -2.564758
H -7.852319 -0.668089 -1.574213


%chk=000257325-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257325

0 1
S -3.167089 -0.417909 0.193018
S -2.934916 2.640718 -0.543928
O 1.579342 1.111806 -2.369464
O 1.170524 -0.876474 2.059321
O 3.895264 -2.741703 -1.202267
O -5.057936 1.119497 -1.013724
N 2.694667 -0.810683 -1.749247
N 2.473776 -1.785433 0.388874
C 1.067891 0.242257 -0.128324
C 1.212973 1.660824 0.513969
C -0.448323 -0.069873 -0.475591
C 2.674559 2.097825 0.755500
C 1.792873 0.240012 -1.489758
C 1.566424 -0.820170 0.864231
C -1.416364 0.060848 0.711710
C 2.757236 3.493440 1.415288
C 3.077508 -1.845681 -0.880249
C 4.209486 3.949915 1.669845
C -3.783606 1.187494 -0.506647
C -5.859429 -0.154567 -0.994023
C -7.192430 0.177191 -1.653230
H 0.707445 2.380981 -0.155409
H 0.674346 1.654290 1.478168
H -0.741369 0.648837 -1.262794
H -0.519287 -1.089285 -0.902976
H 3.187720 1.362528 1.409965
H 3.228140 2.121485 -0.205224
H -1.485237 1.099185 1.074417
H -1.172695 -0.614838 1.545651
H 2.242725 4.231621 0.767785
H 2.199863 3.475472 2.373802
H 3.138031 -0.820394 -2.674077
H 2.762092 -2.514001 1.050812
H 4.779898 4.008472 0.723837
H 4.737323 3.243336 2.337967
H 4.239431 4.947928 2.143682
H -5.296243 -0.927427 -1.549894
H -5.978954 -0.473110 0.058488
H -7.719976 0.968923 -1.095788
H -7.042603 0.519384 -2.690708
H -7.831582 -0.724321 -1.670610


