%chk=000231116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231116

0 1
S -1.137859 2.618768 0.029358
S 4.050559 1.088708 0.759114
O -1.059155 3.005749 1.666514
O -0.336794 3.634129 -0.599610
O -2.566068 2.550444 -0.262968
O -3.053134 -2.348073 0.247290
N -2.574383 -0.097816 0.029728
N 3.852005 -1.183433 -0.532197
N -9.048779 -0.149170 -0.092807
C 1.654741 -0.179034 0.010463
C -0.439337 1.078127 0.007940
C -1.173938 -0.134966 0.048703
C 0.972662 1.029819 -0.024852
C 3.104871 -0.243388 -0.019274
C 5.540939 0.288620 0.323313
C 0.909145 -1.393423 0.067782
C 5.237025 -0.919787 -0.359723
C -0.465478 -1.370428 0.088506
C 6.849989 0.686528 0.563238
C 7.884098 -0.144182 0.110406
C 6.278956 -1.747147 -0.810906
C 7.589099 -1.349684 -0.570197
C -3.476772 -1.215843 0.118015
C -4.910072 -0.868259 0.042078
C 9.310759 0.232428 0.339830
C -5.827511 -1.935373 0.161450
C -5.402597 0.439443 -0.141761
C -7.194096 -1.714765 0.095990
C -6.764674 0.684105 -0.210472
C -7.678536 -0.394580 -0.086993
H 1.531806 1.975124 -0.093785
H 1.451498 -2.346079 0.088685
H -1.031819 -2.313285 0.134617
H -3.037953 0.850700 -0.078578
H 7.066553 1.615318 1.086760
H 6.048602 -2.673983 -1.335979
H 8.411112 -1.977996 -0.912631
H 9.837385 -0.534879 0.926446
H 9.852296 0.342366 -0.611542
H 9.421191 1.181005 0.881794
H -5.439891 -2.951108 0.305440
H -4.704798 1.286319 -0.235726
H -1.057113 3.948846 1.886747
H -7.886500 -2.546073 0.194358
H -7.127930 1.699349 -0.348531
H -9.694134 -0.915029 -0.181902
H -9.395867 0.745489 -0.393431


%chk=000231116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231116

0 1
S -1.236643 2.722985 0.382604
S 4.172826 1.446911 0.098303
O -1.312348 2.708311 2.234195
O -0.273616 3.929526 -0.086376
O -2.777867 2.679856 -0.162885
O -3.075623 -2.410512 0.075969
N -2.587563 -0.108964 0.054749
N 3.899754 -1.235821 -0.047462
N -9.117905 -0.165089 -0.301104
C 1.710577 -0.100493 0.059416
C -0.419498 1.058358 0.178549
C -1.190770 -0.143913 0.086613
C 0.981879 1.106249 0.166655
C 3.172960 -0.135032 0.030188
C 5.648457 0.404471 0.011817
C 0.974720 -1.321045 -0.010903
C 5.278443 -0.979137 -0.059222
C -0.423201 -1.350222 -0.000887
C 6.996412 0.809921 0.008550
C 8.010023 -0.176993 -0.066412
C 6.295457 -1.962140 -0.133576
C 7.639959 -1.555105 -0.136363
C -3.481029 -1.205811 0.027360
C -4.926967 -0.854115 -0.058555
C 9.476325 0.217274 -0.073144
C -5.853857 -1.933729 -0.017149
C -5.445044 0.467693 -0.186961
C -7.234277 -1.717785 -0.095396
C -6.826731 0.696729 -0.268656
C -7.749856 -0.391459 -0.222979
H 1.486728 2.077176 0.229793
H 1.539655 -2.255325 -0.082202
H -0.974160 -2.290556 -0.055663
H -2.999934 0.836843 0.006311
H 7.269009 1.868640 0.062743
H 6.013457 -3.017641 -0.187201
H 8.431022 -2.312036 -0.193676
H 10.016711 -0.238357 0.777839
H 9.978362 -0.126720 -0.996985
H 9.605501 1.310766 -0.007224
H -5.449449 -2.946832 0.077459
H -4.790170 1.346116 -0.235766
H -1.689442 3.588141 2.530850
H -7.926058 -2.567881 -0.059206
H -7.201936 1.721902 -0.371061
H -9.776817 -0.938334 -0.275646
H -9.487371 0.776780 -0.396604


