%chk=000266544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266544

0 1
S 2.893952 -0.544191 0.216885
O -3.926099 -1.009898 1.249191
O -4.962947 -2.443904 -1.447289
O -4.375455 0.965021 -1.649058
O -5.305240 1.330729 2.680696
N -1.944376 -1.760722 0.217005
N 0.230423 -2.362601 0.711070
N -1.490363 0.538688 -0.681092
N 0.940280 1.069082 -0.645656
N -0.603878 2.592135 -1.536400
C -4.042004 -1.401576 -1.120143
C -3.416547 -1.862193 0.223309
C -4.796704 -0.080899 -0.797792
C -4.474750 0.223247 0.686036
C -5.696309 0.546168 1.551444
C -1.139624 -0.669160 -0.139401
C -1.037709 -2.755850 0.754169
C 0.218859 -1.067714 0.162031
C 1.237438 -0.134419 -0.122840
C -0.406984 1.369463 -0.919391
C 3.830870 0.929310 -0.307248
C 5.252499 0.570317 -0.031881
C -1.941362 3.207722 -1.627616
C 6.027717 -0.054153 -1.022619
C 5.823091 0.855543 1.219353
C 7.360079 -0.384660 -0.762882
C 7.156056 0.522170 1.472255
C 7.926812 -0.096870 0.482928
H -3.306431 -1.267389 -1.941867
H -3.724544 -2.897086 0.520027
H -5.885239 -0.169820 -1.010428
H -3.683593 1.001557 0.788655
H -6.204643 -0.375293 1.893168
H -6.412253 1.208186 1.025040
H -5.260491 -2.352845 -2.379543
H -3.384252 1.134139 -1.543787
H -1.409280 -3.702020 1.123561
H -4.709100 0.807404 3.262661
H 0.194603 3.226814 -1.586336
H 3.491811 1.824583 0.251777
H 3.637228 1.153957 -1.375652
H -2.699837 2.465315 -1.962480
H -1.920903 4.018080 -2.376321
H -2.283733 3.620083 -0.661323
H 5.590636 -0.286354 -1.992736
H 5.226638 1.332075 1.996072
H 7.957580 -0.869913 -1.533274
H 7.594479 0.743735 2.444219
H 8.964695 -0.355991 0.682807


%chk=000266544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266544

0 1
S 2.977882 -0.754204 0.334353
O -3.929546 -0.425283 1.386237
O -5.179921 -2.262513 -1.006810
O -3.863517 1.218871 -1.357387
O -6.418687 0.000393 2.690084
N -2.002323 -1.490987 0.448204
N 0.101271 -2.281751 0.948685
N -1.361778 0.691663 -0.574720
N 1.078498 1.006790 -0.600876
N -0.334899 2.643529 -1.448965
C -4.153368 -1.212972 -0.908723
C -3.466682 -1.472379 0.460815
C -4.753009 0.226163 -0.801521
C -4.994079 0.401272 0.716974
C -6.360850 -0.080811 1.227977
C -1.104025 -0.507261 0.022128
C -1.210970 -2.526033 1.007454
C 0.190738 -1.018179 0.334624
C 1.295676 -0.192772 -0.013671
C -0.221791 1.411196 -0.859557
C 3.971213 0.744109 -0.346741
C 5.443773 0.490703 -0.138243
C -1.600698 3.302137 -1.786392
C 6.209709 -0.175260 -1.130230
C 6.087220 0.914343 1.053706
C 7.589519 -0.408065 -0.938150
C 7.466890 0.682818 1.248131
C 8.222210 0.020888 0.252082
H -3.444970 -1.265939 -1.757107
H -3.791156 -2.464111 0.825727
H -5.697278 0.301312 -1.371529
H -4.805157 1.439741 1.036001
H -6.556384 -1.113881 0.873305
H -7.160153 0.587329 0.862342
H -5.650202 -2.179341 -1.873921
H -2.895959 1.072398 -1.011358
H -1.667376 -3.418370 1.431321
H -5.589888 -0.426352 3.033342
H 0.553779 3.110265 -1.627576
H 3.603147 1.627162 0.196721
H 3.694498 0.837471 -1.407651
H -2.186153 2.718746 -2.518840
H -1.374810 4.290851 -2.216596
H -2.236216 3.438465 -0.892820
H 5.720480 -0.512539 -2.052031
H 5.503089 1.424361 1.829223
H 8.169367 -0.921856 -1.712947
H 7.951368 1.016983 2.172295
H 9.292613 -0.159098 0.401937


