%chk=000296402.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296402

0 1
S 4.556483 -0.751590 1.304527
O 1.919663 -0.146220 0.890849
O 0.751972 2.774921 1.674219
O 1.658494 2.173461 -1.631445
N -0.336721 -0.439227 0.410627
N -1.182027 -2.282377 -0.677398
N -2.429910 0.919433 0.556540
N -4.373021 -0.256646 -0.464999
N -4.197126 -2.388459 -1.454286
N -4.562317 1.928262 0.393972
C 0.626292 1.875603 0.574977
C 1.930731 2.001785 -0.249586
C 0.635036 0.422279 1.132174
C 2.722102 0.691800 -0.003215
C 4.030038 0.890552 0.737229
C -1.696937 -0.184210 0.207653
C -0.084230 -1.747184 -0.145573
C -2.208823 -1.340509 -0.477911
C 5.723486 -1.266694 -0.005480
C -3.597806 -1.341021 -0.806429
C -3.758084 0.819679 0.168818
C 6.158296 -2.671649 0.354510
H -0.276667 2.127731 -0.025354
H 2.491194 2.929168 0.015053
H 0.469655 0.357068 2.234855
H 2.839120 0.103242 -0.939250
H 3.892129 1.514734 1.646720
H 4.791313 1.392289 0.116704
H -0.144514 3.028038 1.998399
H 1.092343 1.450429 -1.984538
H 0.908115 -2.180538 -0.094256
H 5.228375 -1.235833 -0.992250
H 6.583277 -0.573555 -0.041768
H 6.657552 -2.714733 1.333198
H 5.312052 -3.372646 0.391914
H 6.868908 -3.065161 -0.385275
H -3.661833 -3.211111 -1.688815
H -5.182853 -2.374300 -1.660697
H -4.238216 2.642061 1.028278
H -5.562140 1.826931 0.290809


%chk=000296402-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296402

0 1
S 4.906339 -0.660352 1.659525
O 1.729454 -0.552284 0.892703
O 1.219260 2.489042 1.496882
O 1.347008 1.041133 -1.902394
N -0.568876 -0.543301 0.232004
N -1.634902 -2.212080 -0.931114
N -2.485591 0.992099 0.602119
N -4.568655 0.107535 -0.401791
N -4.657636 -1.944373 -1.561290
N -4.528030 2.142583 0.739527
C 0.709357 1.600858 0.449895
C 1.854147 1.381705 -0.570037
C 0.473541 0.170489 1.015279
C 2.699702 0.241372 0.058196
C 3.854617 0.732677 0.940217
C -1.906638 -0.144564 0.120701
C -0.467308 -1.804771 -0.403711
C -2.542214 -1.183776 -0.607993
C 6.059076 -0.955111 0.177584
C -3.936445 -1.011747 -0.864314
C -3.829599 1.039452 0.298240
C 7.021125 -2.105284 0.508769
H -0.197553 2.010209 -0.026893
H 2.430200 2.306883 -0.713892
H 0.175353 0.186042 2.079335
H 3.066139 -0.437874 -0.732677
H 3.462278 1.308218 1.793337
H 4.527267 1.384806 0.353184
H 0.466687 2.770655 2.075159
H 0.758404 0.243596 -1.843988
H 0.468416 -2.356132 -0.412104
H 5.440113 -1.200837 -0.703598
H 6.607507 -0.016491 -0.018558
H 7.633231 -1.869997 1.397646
H 6.468866 -3.040502 0.709341
H 7.706122 -2.286723 -0.340133
H -4.194158 -2.783028 -1.904212
H -5.650473 -1.790105 -1.721079
H -4.042918 2.865432 1.262068
H -5.519812 2.210349 0.531566


