%chk=000212358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212358

0 1
S 0.214575 2.802854 -0.308748
O -2.161048 -1.477827 0.341040
O 3.660422 -1.965616 -0.294283
O -3.533037 0.103749 -0.515049
N 2.835104 -0.137588 0.786152
N -2.440640 2.647047 -0.950568
C 0.478157 -1.031875 0.854512
C 0.070546 0.320813 0.380105
C 1.869244 -1.011442 1.517579
C 2.391173 1.285714 0.708765
C 0.961881 1.353858 0.305016
C -1.262282 0.663246 -0.068229
C -1.353181 1.997605 -0.481388
C 3.596403 -0.748047 -0.242366
C -2.415961 -0.208005 -0.121527
C 4.396887 0.139125 -1.152489
C -3.257315 -2.448606 0.284736
C -3.377320 -2.997879 -1.121124
H -0.279656 -1.446386 1.556431
H 0.467261 -1.736751 -0.009044
H 1.795838 -0.634205 2.560571
H 2.286009 -2.045938 1.562980
H 3.042993 1.866992 0.021864
H 2.526127 1.730281 1.727483
H 5.053994 0.823449 -0.601154
H 3.755835 0.731718 -1.818585
H 5.044094 -0.480352 -1.795999
H -3.329438 2.139848 -1.035665
H -2.417462 3.611601 -1.231203
H -2.906113 -3.196250 1.018594
H -4.184273 -1.957384 0.631085
H -4.078727 -3.838811 -1.166117
H -3.739266 -2.226273 -1.817369
H -2.408622 -3.346966 -1.501907


%chk=000212358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212358

0 1
S 0.092365 2.853960 -0.352451
O -2.313749 -1.553883 0.287099
O 4.333661 -1.907674 0.186662
O -3.722156 0.208456 -0.316330
N 2.843881 -0.150945 0.503233
N -2.653900 2.629995 -0.706008
C 0.545443 -1.117676 0.673605
C 0.030463 0.248191 0.254735
C 1.941176 -0.992844 1.322254
C 2.415566 1.251114 0.327278
C 0.917591 1.293302 0.133413
C -1.352812 0.618358 -0.046423
C -1.492098 1.987441 -0.386613
C 4.020194 -0.691920 -0.014295
C -2.546273 -0.215556 -0.044747
C 4.919097 0.232058 -0.838381
C -3.504180 -2.458358 0.265842
C -3.745019 -3.007181 -1.143257
H -0.156677 -1.587363 1.383489
H 0.591461 -1.788475 -0.205178
H 1.843900 -0.534179 2.327543
H 2.425622 -1.976519 1.426186
H 2.925720 1.685276 -0.550503
H 2.715084 1.861269 1.210124
H 5.192713 1.153071 -0.292641
H 4.435331 0.524972 -1.788904
H 5.836103 -0.327537 -1.073603
H -3.496763 2.031616 -0.690098
H -2.685592 3.614989 -0.954361
H -3.234388 -3.254716 0.978460
H -4.380701 -1.896894 0.632743
H -4.573008 -3.740248 -1.121371
H -4.021950 -2.194941 -1.835722
H -2.843902 -3.515460 -1.527682


