%chk=000209835.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209835

0 1
S 0.002165 -3.083805 0.001996
O 0.206772 -3.816927 -1.242405
O -0.201835 -3.815699 1.247226
O 5.292335 1.030888 -1.323467
O -5.291775 1.027426 1.322981
N 4.620590 0.564599 0.861671
N -4.619163 0.559984 -0.861643
N 6.448561 1.961575 0.498177
N -6.448406 1.955684 -0.499640
N 8.138519 3.586929 0.484411
N 7.595029 2.523597 -1.587077
N -8.139617 3.579738 -0.487482
N -7.595569 2.518605 1.584984
C 1.349382 -2.019649 0.230247
C -1.345916 -2.021002 -0.227431
C 2.065737 -1.541403 -0.872135
C -2.062907 -1.542451 0.874409
C 1.744834 -1.660376 1.523152
C -1.741431 -1.663148 -1.520712
C 3.529665 -0.307904 0.602039
C -3.527586 -0.311423 -0.601078
C 3.148216 -0.682532 -0.700339
C -3.146088 -0.684652 0.701686
C 2.824079 -0.804688 1.723977
C -2.821369 -0.808554 -1.722466
C 5.442354 1.171640 -0.112433
C -5.441672 1.167073 0.111803
C 7.346270 2.650664 -0.216877
C -7.346744 2.644687 0.214706
H 1.783074 -1.851461 -1.884974
H -1.780167 -1.851428 1.887564
H 1.207547 -2.063953 2.390246
H -1.203637 -2.066996 -2.387366
H 3.702024 -0.307775 -1.568787
H -3.700402 -0.309669 1.569712
H 3.118745 -0.532938 2.734021
H -3.116087 -0.537928 -2.732796
H 4.838463 0.765221 1.846362
H -4.836997 0.759629 -1.846539
H 8.043952 3.561305 1.499417
H 9.097592 3.707941 0.184337
H 8.071885 3.255667 -2.091457
H 6.902153 1.999615 -2.141250
H -8.044956 3.553284 -1.502454
H -9.098787 3.700359 -0.187572
H -8.072955 3.250786 2.088696
H -6.902379 1.995569 2.139661


%chk=000209835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209835

0 1
S 0.001855 -2.969008 0.001577
O 0.196927 -3.748080 -1.429302
O -0.192858 -3.746893 1.433152
O 5.681027 0.973341 -1.425842
O -5.680618 0.970061 1.425329
N 4.877606 0.596936 0.763888
N -4.875248 0.594429 -0.763860
N 6.747420 1.895115 0.526426
N -6.747464 1.889410 -0.527747
N 8.647635 3.222594 0.566256
N 7.857037 2.464768 -1.534145
N -8.651910 3.210817 -0.568576
N -7.855602 2.461633 1.532814
C 1.496319 -1.835016 0.209822
C -1.493111 -1.835859 -0.207661
C 2.215542 -1.446090 -0.931267
C -2.212635 -1.446423 0.933065
C 1.878561 -1.473312 1.512242
C -1.875345 -1.475235 -1.510384
C 3.754151 -0.220265 0.528719
C -3.751549 -0.222233 -0.527976
C 3.351825 -0.627424 -0.776481
C -3.349228 -0.628322 0.777558
C 3.012891 -0.656462 1.666711
C -3.009983 -0.658948 -1.665570
C 5.779986 1.152654 -0.151161
C -5.777950 1.150474 0.150680
C 7.725018 2.508124 -0.169029
C -7.726021 2.501249 0.167347
H 1.907144 -1.800083 -1.920659
H -1.904204 -1.799578 1.922745
H 1.317441 -1.846826 2.374924
H -1.313977 -1.849133 -2.372738
H 3.939537 -0.301192 -1.636189
H -3.937144 -0.301671 1.636968
H 3.334388 -0.359980 2.672526
H -3.331472 -0.363304 -2.671633
H 5.100974 0.836993 1.732875
H -5.098577 0.833721 -1.733046
H 8.523811 3.230020 1.575493
H 9.422975 3.724600 0.143232
H 8.612114 2.928816 -2.033386
H 7.125630 1.908483 -2.014999
H -8.529583 3.215789 -1.578011
H -9.428124 3.711698 -0.145819
H -8.611292 2.924804 2.031939
H -7.120420 1.910910 2.014295


