%chk=000267634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267634

0 1
S -4.956236 -0.522847 0.748774
O 2.597851 -0.236257 -2.196638
O -5.587917 -1.804817 0.473069
O -4.842548 -0.059755 2.122091
O 1.617888 1.059736 -0.575037
N 0.464642 -0.670208 -1.695469
C 6.021603 0.431208 -0.699913
C 6.729835 -0.100194 0.553411
C 4.578367 -0.079397 -0.777818
C 8.176907 0.405724 0.636747
C 3.876306 0.462423 -2.016383
C -3.372515 -0.542801 0.041778
C 8.885674 -0.120218 1.882613
C -5.793977 0.722694 -0.189989
C -3.071721 -1.464467 -0.966537
C -2.380663 0.325500 0.509624
C -0.815944 -0.600383 -1.078688
C -1.803658 -1.499937 -1.540922
C -1.104553 0.314130 -0.048692
C -7.222039 0.855026 0.313866
C 1.557287 0.159499 -1.379692
H 6.582781 0.126412 -1.604769
H 6.030625 1.539260 -0.692233
H 6.719087 -1.207268 0.555186
H 6.173417 0.205903 1.460902
H 4.015080 0.220096 0.132013
H 4.559346 -1.187693 -0.788274
H 8.736950 0.099457 -0.268455
H 8.189415 1.513473 0.640439
H 4.379969 0.194923 -2.963745
H 3.683623 1.548050 -1.963738
H -5.280504 1.701885 -0.120093
H -5.799183 0.484579 -1.271819
H 8.378090 0.197073 2.800957
H 8.926426 -1.215401 1.893508
H 9.917085 0.246370 1.935962
H -3.837547 -2.175094 -1.303790
H -2.600357 1.017882 1.331920
H -1.583911 -2.220234 -2.324882
H -0.335123 1.002301 0.319120
H -7.782706 -0.086842 0.210326
H -7.257261 1.145682 1.375301
H -7.772849 1.620729 -0.247444
H 0.611258 -1.383501 -2.419387


%chk=000267634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267634

0 1
S -5.173183 -0.480781 0.741237
O 2.621444 -0.332128 -2.101858
O -5.839377 -1.947579 0.430469
O -5.081166 0.131579 2.259110
O 1.639485 1.092186 -0.498164
N 0.456977 -0.661183 -1.577673
C 6.130571 0.426480 -0.651762
C 6.972781 -0.162147 0.502954
C 4.737779 -0.236300 -0.772686
C 8.368810 0.489452 0.628578
C 3.927340 0.369605 -1.925122
C -3.430163 -0.489555 0.009618
C 9.205213 -0.101822 1.783921
C -6.165887 0.818575 -0.322907
C -3.126480 -1.458868 -0.960951
C -2.481729 0.418848 0.506507
C -0.837662 -0.566862 -1.014033
C -1.817596 -1.490945 -1.476558
C -1.171231 0.388358 -0.012847
C -7.592992 0.874721 0.211499
C 1.567771 0.129617 -1.300578
H 6.685505 0.305921 -1.605723
H 6.009025 1.518234 -0.493838
H 7.092050 -1.255396 0.352276
H 6.422737 -0.037390 1.458519
H 4.180035 -0.103740 0.173695
H 4.854850 -1.324537 -0.940686
H 8.916778 0.364980 -0.327838
H 8.248741 1.581818 0.778579
H 4.429130 0.229542 -2.896858
H 3.728133 1.442532 -1.750751
H -5.596848 1.753164 -0.194104
H -6.080606 0.434508 -1.351968
H 8.693535 0.036938 2.754953
H 9.366047 -1.187376 1.642465
H 10.197671 0.380102 1.853418
H -3.886251 -2.182300 -1.274926
H -2.752098 1.117065 1.305879
H -1.551057 -2.238762 -2.233041
H -0.408020 1.080961 0.346699
H -8.087100 -0.108286 0.124891
H -7.606066 1.185887 1.270282
H -8.177239 1.609414 -0.372869
H 0.618642 -1.391826 -2.274606


