%chk=000269671.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269671

0 1
S 9.069458 0.083060 0.024413
O 2.489806 2.109383 -0.087278
O 9.387639 0.030729 -1.638390
O 9.570765 1.381196 0.410516
O 9.656402 -1.111880 0.570515
O -7.298118 3.146864 -0.184204
N 3.152468 -0.154973 0.021320
N 2.497311 -1.392287 0.075127
N -6.493062 1.015950 -0.077304
C 4.573842 -0.110312 0.025028
C 0.865096 0.258527 -0.009277
C 1.187145 -1.186281 0.059146
C 2.197188 0.942377 -0.034603
C 5.223446 1.142837 -0.025352
C 5.331076 -1.302895 0.080853
C 7.370085 0.011406 0.028840
C 6.612729 1.190717 -0.024177
C 6.717938 -1.230941 0.081388
C -0.289123 0.954386 -0.046640
C 0.217125 -2.300491 0.105787
C -1.626488 0.403524 -0.026700
C -6.761697 -0.412728 -0.009200
C -2.724332 1.193089 -0.068849
C -5.152884 1.477963 -0.093481
C -4.073562 0.664123 -0.049655
C -6.895755 -1.029029 1.244258
C -6.886689 -1.147128 -1.198311
C -7.572463 1.967503 -0.128136
C -7.166480 -2.398659 1.299362
C -7.157502 -2.515784 -1.123023
C -7.299242 -3.140616 0.120701
C -8.952823 1.401004 -0.106616
H 4.643231 2.071089 -0.065842
H 4.827473 -2.271461 0.122487
H 7.117216 2.164672 -0.058085
H 7.307092 -2.155444 0.129813
H -0.217820 2.056973 -0.097583
H -0.422702 -2.310673 -0.790754
H -0.431899 -2.228107 0.992793
H 0.721251 -3.282038 0.153837
H -1.722972 -0.682311 0.024191
H -2.627340 2.284933 -0.120098
H -5.069414 2.579045 -0.145956
H -4.176344 -0.422047 0.001926
H -6.782083 -0.449532 2.159921
H -6.766019 -0.658637 -2.164734
H -7.272393 -2.890065 2.267173
H -7.256434 -3.098299 -2.039665
H -7.511019 -4.208469 0.171556
H 10.216377 0.436835 -1.923073
H -9.699115 2.213240 -0.148911
H -9.155515 0.819785 0.806400
H -9.148067 0.734575 -0.961160


%chk=000269671-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000269671

0 1
S 9.234480 0.248657 0.079685
O 2.405777 2.098788 -0.085477
O 9.486698 0.292635 -1.767583
O 9.705795 1.678083 0.677414
O 9.879320 -1.125156 0.645212
O -7.200067 3.261941 -0.236416
N 3.198260 -0.177436 0.001669
N 2.613870 -1.481549 0.038471
N -6.527450 1.025053 -0.095317
C 4.607885 -0.062840 0.013418
C 0.917392 0.098989 -0.032907
C 1.283018 -1.314269 0.019021
C 2.205753 0.848733 -0.044773
C 5.227732 1.219801 -0.010319
C 5.397865 -1.246022 0.057284
C 7.380284 0.126018 0.040864
C 6.631600 1.313983 0.000098
C 6.800299 -1.153942 0.066564
C -0.297757 0.772484 -0.067717
C 0.389363 -2.521416 0.049682
C -1.619519 0.225612 -0.056170
C -6.882478 -0.383376 -0.001113
C -2.751773 1.034881 -0.094239
C -5.181463 1.406080 -0.117780
C -4.101978 0.545207 -0.076128
C -6.990314 -0.991654 1.270681
C -7.093915 -1.133828 -1.180385
C -7.536922 2.051518 -0.155327
C -7.330668 -2.360149 1.361514
C -7.434739 -2.501971 -1.082895
C -7.555884 -3.115233 0.186280
C -8.978886 1.583582 -0.113932
H 4.608231 2.118322 -0.039750
H 4.898168 -2.215902 0.080345
H 7.129022 2.288519 -0.007162
H 7.428236 -2.049057 0.109072
H -0.209626 1.870928 -0.106530
H -0.251875 -2.570583 -0.850230
H -0.271933 -2.510470 0.936269
H 1.006148 -3.433853 0.087281
H -1.752089 -0.862113 -0.014035
H -2.609004 2.125903 -0.138757
H -5.049724 2.492889 -0.173723
H -4.261320 -0.539229 -0.025770
H -6.806312 -0.397155 2.172172
H -6.987468 -0.649543 -2.157242
H -7.418967 -2.834044 2.344777
H -7.603055 -3.086049 -1.993777
H -7.821365 -4.175245 0.258917
H 10.469384 0.402755 -1.927031
H -9.626414 2.471500 -0.141448
H -9.191324 1.002137 0.800469
H -9.217488 0.931786 -0.972931


