%chk=000256559.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256559

0 1
S -1.678008 2.835562 -1.823414
O -3.978920 -2.494111 -0.583215
O -5.696190 -1.584488 0.779393
N 2.389980 0.488449 0.290724
N -0.220097 1.667418 0.051728
C 1.169666 -0.305747 0.646034
C 2.095421 1.451516 -0.823309
C 0.074758 0.671415 1.121366
C 0.991492 2.426846 -0.371496
C 3.544853 -0.345941 -0.024058
C -1.405540 1.754958 -0.589997
C 4.799022 0.061317 0.489164
C -2.541408 0.896896 -0.171246
C 3.442439 -1.522437 -0.784838
C 5.923889 -0.737230 0.228353
C -2.585524 -0.441543 -0.648867
C 4.954034 1.315978 1.283414
C 4.572994 -2.304020 -1.027695
C -3.553886 1.434471 0.623912
C -3.685451 -1.173135 -0.270493
C 5.814577 -1.910655 -0.520304
C -4.719574 -0.626478 0.551060
C -4.679548 0.670092 1.010827
C -5.270867 -2.781836 0.047103
H 1.437527 -0.997536 1.475672
H 0.785825 -0.929618 -0.190168
H 1.797615 0.943797 -1.766876
H 3.024794 2.022852 -1.042678
H -0.838239 0.111600 1.417172
H 0.424567 1.225464 2.025254
H 1.337393 3.035578 0.495643
H 0.755539 3.142165 -1.197139
H 2.481040 -1.829514 -1.192708
H 6.895907 -0.436754 0.617750
H -1.809554 -0.843707 -1.294310
H 5.142022 2.175649 0.624890
H 4.041605 1.548406 1.857053
H 5.782962 1.259163 1.999530
H -3.494703 2.476167 0.948105
H 4.486704 -3.216415 -1.614754
H 6.697981 -2.518199 -0.709417
H -5.468658 1.093590 1.626351
H -5.116948 -3.585941 0.778213
H -6.002691 -2.967146 -0.750733


%chk=000256559-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256559

0 1
S -1.775342 3.573513 -0.741230
O -3.888222 -2.397084 -0.645769
O -5.847744 -1.596399 0.483706
N 2.384055 0.243878 0.180963
N -0.198165 1.539374 0.187071
C 1.170689 -0.520197 0.532641
C 2.068910 1.335681 -0.777615
C 0.114779 0.431024 1.128224
C 1.014477 2.297335 -0.198681
C 3.607995 -0.483275 -0.009916
C -1.468556 2.006300 -0.087912
C 4.868459 0.179030 0.164003
C -2.616548 1.070246 0.135865
C 3.589757 -1.873565 -0.314843
C 6.054593 -0.573318 -0.016148
C -2.566837 -0.263731 -0.384926
C 4.960070 1.630997 0.599931
C 4.786972 -2.602881 -0.471895
C -3.789567 1.536355 0.785150
C -3.702927 -1.054055 -0.224213
C 6.030934 -1.949701 -0.335669
C -4.858012 -0.584801 0.438128
C -4.929068 0.709522 0.960794
C -5.319493 -2.693713 -0.372331
H 1.430916 -1.283003 1.287205
H 0.727683 -1.043674 -0.350242
H 1.685959 0.912844 -1.736315
H 2.983528 1.902434 -1.008090
H -0.802320 -0.119429 1.379963
H 0.525328 0.877691 2.056947
H 1.423399 2.815454 0.692113
H 0.720043 3.060900 -0.937449
H 2.632379 -2.388016 -0.447890
H 7.018757 -0.069233 0.126537
H -1.691158 -0.631412 -0.926300
H 4.979561 2.333385 -0.257147
H 4.096069 1.902536 1.232956
H 5.886206 1.804150 1.175131
H -3.808756 2.571818 1.136894
H 4.745124 -3.671894 -0.709565
H 6.967794 -2.503505 -0.458943
H -5.826082 1.071213 1.468882
H -5.390432 -3.643803 0.178879
H -5.876407 -2.702092 -1.327900


