%chk=000267638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267638

0 1
S 5.814436 0.315823 -0.352723
O -2.182258 0.345709 1.007999
O 5.979950 0.961635 -1.644375
O 6.547063 0.816451 0.800756
O -1.050981 0.241338 -1.002704
N 0.042756 0.332903 1.088921
C -3.311959 -2.165488 0.094763
C -4.048238 -0.847624 -0.017969
C -3.449161 0.360167 0.368563
C -2.746029 -2.549651 -1.277524
C -4.208726 -3.271062 0.663341
C -5.349886 -0.755351 -0.534613
C 4.125899 0.310810 0.046727
C -4.065076 1.607236 0.267286
C -5.370893 1.664002 -0.242908
C 6.182031 -1.405666 -0.540810
C -6.002728 0.474115 -0.643089
C 3.727847 0.340252 1.387388
C 3.161960 0.327997 -0.966410
C 1.411170 0.334068 0.695414
C 2.377300 0.343996 1.727038
C 1.803757 0.328481 -0.655719
C 7.653655 -1.569531 -0.884785
C -6.063166 2.980179 -0.367716
C -1.047895 0.302629 0.200397
H -2.453204 -2.028575 0.804972
H -3.539218 -2.715490 -2.014156
H -2.148849 -3.464674 -1.222227
H -2.100515 -1.750845 -1.674548
H -3.629959 -4.179623 0.863622
H -5.012211 -3.547301 -0.027907
H -4.674941 -2.959880 1.605163
H -5.858604 -1.663850 -0.860224
H -3.538948 2.505732 0.580517
H 5.946745 -1.976833 0.378700
H 5.559604 -1.872966 -1.329232
H -7.012729 0.509381 -1.048280
H 4.484797 0.371125 2.182009
H 3.471532 0.352457 -2.018824
H 2.081549 0.365429 2.773031
H 1.055688 0.336702 -1.456096
H 7.918347 -2.627692 -1.007464
H 7.914145 -1.061001 -1.825996
H 8.307012 -1.162711 -0.097464
H -6.007245 3.559280 0.565267
H -5.601394 3.593474 -1.156920
H -7.127010 2.880140 -0.620047
H -0.169322 0.380399 2.093158


%chk=000267638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267638

0 1
S 5.966073 0.337967 -0.346746
O -2.218644 0.354637 1.018303
O 6.137719 0.995178 -1.838609
O 6.734725 0.944781 0.969680
O -1.098469 0.214029 -1.066993
N 0.030790 0.336296 1.017494
C -3.393288 -2.185191 -0.000997
C -4.108628 -0.834108 -0.062199
C -3.519105 0.369372 0.392873
C -3.033103 -2.681821 -1.428066
C -4.228039 -3.243565 0.766803
C -5.416949 -0.715420 -0.597263
C 4.121632 0.290703 0.052970
C -4.171057 1.614384 0.341757
C -5.478265 1.713750 -0.192697
C 6.507061 -1.530867 -0.494604
C -6.089064 0.523238 -0.662537
C 3.734034 0.344081 1.402256
C 3.200158 0.279136 -1.006499
C 1.397009 0.317880 0.645926
C 2.357892 0.353796 1.695830
C 1.821649 0.286142 -0.711919
C 7.995511 -1.566284 -0.825146
C -6.185776 3.055128 -0.271507
C -1.076424 0.293003 0.179842
H -2.447070 -2.046968 0.555745
H -3.946177 -2.857177 -2.027135
H -2.473496 -3.634424 -1.375567
H -2.412666 -1.936091 -1.954252
H -3.664383 -4.191740 0.843215
H -5.178905 -3.462715 0.246690
H -4.471259 -2.900549 1.788558
H -5.920560 -1.615451 -0.968367
H -3.650799 2.501355 0.720004
H 6.250566 -1.956645 0.488702
H 5.856674 -1.931795 -1.288513
H -7.100738 0.568594 -1.082610
H 4.490764 0.408438 2.191109
H 3.553044 0.296677 -2.043267
H 2.026640 0.398334 2.740336
H 1.078811 0.277402 -1.511728
H 8.327659 -2.617239 -0.912338
H 8.199946 -1.057847 -1.782976
H 8.588527 -1.080069 -0.031576
H -6.140837 3.594031 0.692486
H -5.718708 3.708695 -1.032748
H -7.248232 2.933963 -0.543484
H -0.190146 0.401069 2.014066


