%chk=000256637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256637

0 1
O 2.755092 -1.589953 1.129715
O 0.832726 2.105537 1.142703
O -1.460831 -0.748798 3.162307
O -3.833546 -0.443010 0.381858
O 1.982796 -1.787274 -0.997602
O 2.689030 1.416317 0.046013
O -2.593658 -2.328806 0.136342
N 0.473442 -0.528139 1.936597
C -0.400662 -0.258972 -0.298339
C 0.910930 -0.210285 0.571329
C -0.524739 0.849621 -1.369580
C -1.544954 -0.197297 0.750149
C -0.918559 -0.534516 2.106863
C 0.595747 0.736097 -2.425853
C -1.895403 0.768117 -2.052470
C 1.924167 -1.282729 0.093204
C 1.613183 1.167922 0.530555
C -2.661235 -1.153377 0.395769
C 0.924153 2.087419 -3.053201
C 3.785920 -2.616232 0.908026
C 1.339054 3.485812 1.186859
C -5.073651 -1.162345 0.074914
C 3.153629 -3.988431 0.941236
C 0.946503 4.200646 -0.086285
C -5.160646 -1.429348 -1.412223
H -0.425922 -1.255972 -0.818055
H -0.449213 1.844174 -0.858301
H -1.954303 0.850085 0.825798
H 1.153338 -0.729695 2.664099
H 0.303022 0.012821 -3.213260
H 1.521268 0.303992 -1.992195
H -2.722015 0.973530 -1.360683
H -1.966937 1.502018 -2.864732
H -2.075386 -0.218458 -2.495942
H 1.704967 1.984285 -3.816697
H 0.051010 2.539582 -3.535165
H 1.301813 2.800156 -2.299772
H 4.452347 -2.413311 1.766824
H 4.292748 -2.394894 -0.048103
H 2.432463 3.459442 1.345691
H 0.817633 3.865040 2.085245
H -5.824239 -0.435746 0.437068
H -5.097848 -2.087254 0.678556
H 2.503896 -4.154252 0.067627
H 2.530675 -4.129763 1.834895
H 3.912755 -4.780558 0.937570
H 1.346311 5.222163 -0.110579
H 1.336303 3.675279 -0.981881
H -0.142876 4.266531 -0.201611
H -4.402349 -2.161824 -1.729870
H -4.998941 -0.516748 -1.999448
H -6.141506 -1.834997 -1.688967


%chk=000256637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000256637

0 1
O 2.910543 -1.428366 1.104234
O 0.810271 1.943824 1.426494
O -1.695602 -0.918134 2.940096
O -3.952495 -0.378605 0.463668
O 2.027729 -1.955969 -0.990985
O 2.607600 1.456217 0.021316
O -2.713197 -2.157721 -0.403785
N 0.343518 -0.728857 1.787006
C -0.370505 -0.295067 -0.453615
C 0.897430 -0.290503 0.501532
C -0.385559 0.758286 -1.603232
C -1.570671 -0.177455 0.529798
C -1.032160 -0.655044 1.907990
C 0.773168 0.534846 -2.618640
C -1.756299 0.733916 -2.326381
C 1.987984 -1.306672 0.070829
C 1.557405 1.112512 0.607032
C -2.769569 -1.025094 0.128178
C 0.908701 1.660276 -3.667680
C 4.036366 -2.397498 0.893597
C 1.319371 3.344544 1.608429
C -5.222017 -1.135700 0.220313
C 3.611931 -3.812420 1.292575
C 0.814147 4.258412 0.489911
C -5.724184 -0.904021 -1.207316
H -0.400936 -1.305348 -0.907896
H -0.261015 1.766781 -1.150094
H -1.900644 0.868398 0.662425
H 0.951490 -0.958114 2.575241
H 0.618276 -0.438983 -3.123584
H 1.733102 0.450223 -2.081247
H -2.594697 0.968652 -1.646619
H -1.780736 1.479092 -3.139734
H -1.943669 -0.262117 -2.770327
H 1.798694 1.491174 -4.300708
H 0.033108 1.720790 -4.338779
H 1.031364 2.646425 -3.178782
H 4.837210 -2.000634 1.536825
H 4.337709 -2.345964 -0.166883
H 2.422499 3.309078 1.634657
H 0.920426 3.631331 2.593924
H -5.911176 -0.728982 0.977030
H -5.031304 -2.205587 0.412995
H 2.809512 -4.183519 0.633634
H 3.259887 -3.841988 2.338121
H 4.475916 -4.496316 1.200899
H 1.130213 5.297885 0.695574
H 1.233850 3.959655 -0.485435
H -0.287752 4.240984 0.430994
H -5.017797 -1.322399 -1.943843
H -5.859419 0.172719 -1.409424
H -6.700515 -1.405340 -1.343331


