%chk=000253769.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253769

0 1
O 4.088577 -0.923551 -0.350861
O -3.891191 -1.177287 1.704462
O -4.040483 1.717985 -0.238168
O -5.418397 -1.772292 0.175947
O 4.212815 0.831171 1.071755
N -2.080819 0.590348 -0.564347
C -2.818478 -0.475019 -1.300353
C -0.680122 0.453898 -0.333296
C -3.042078 -1.721829 -0.430590
C -0.021439 1.324649 0.566197
C 0.064983 -0.536839 -1.011169
C 2.086788 0.216731 0.098087
C 1.347963 1.202898 0.774665
C 1.435114 -0.648667 -0.794298
C -2.848984 1.667447 -0.024991
C -4.258552 -1.572712 0.438156
C 3.538402 0.126923 0.352858
C 5.532290 -1.137629 -0.234931
C 6.270300 -0.141124 -1.103557
H -2.256942 -0.749177 -2.222172
H -3.802300 -0.054542 -1.640093
H -2.145985 -1.932878 0.198030
H -3.179076 -2.615224 -1.079603
H -0.572100 2.090540 1.110771
H -0.416565 -1.212463 -1.715931
H 1.862767 1.874495 1.471210
H 2.015925 -1.413942 -1.320630
H -2.274993 2.412735 0.547741
H 5.813920 -1.063945 0.830901
H 5.614642 -2.179120 -0.595252
H 7.340801 -0.371147 -1.158031
H 5.876876 -0.127343 -2.127865
H 6.172794 0.880513 -0.704960
H -4.674153 -1.042600 2.305521


%chk=000253769-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253769

0 1
O 4.143706 -0.885125 -0.556397
O -3.461409 -0.516895 1.784320
O -4.040260 1.895667 -0.604202
O -5.300188 -1.700985 1.000544
O 4.006222 0.367358 1.411596
N -2.152568 0.505591 -0.784958
C -2.963561 -0.615509 -1.309206
C -0.759191 0.327438 -0.500084
C -3.181665 -1.754896 -0.270106
C -0.197001 0.878954 0.684459
C 0.075503 -0.400371 -1.390773
C 2.010008 0.011187 0.057205
C 1.175583 0.731163 0.949697
C 1.444640 -0.560079 -1.111972
C -2.800781 1.708243 -0.480112
C -4.107999 -1.356070 0.861694
C 3.454678 -0.126108 0.395238
C 5.609929 -1.065059 -0.326396
C 6.399683 0.111510 -0.906644
H -2.474631 -1.046906 -2.199402
H -3.932778 -0.190233 -1.619517
H -2.205680 -2.070402 0.139346
H -3.645227 -2.611756 -0.786768
H -0.843644 1.375718 1.413548
H -0.336980 -0.820010 -2.313675
H 1.619003 1.146686 1.860395
H 2.089209 -1.114460 -1.799202
H -2.099449 2.501565 -0.149793
H 5.783992 -1.168562 0.758971
H 5.837623 -2.011906 -0.841811
H 7.483673 -0.082274 -0.804589
H 6.173548 0.249000 -1.978158
H 6.165229 1.044590 -0.367830
H -4.116918 -0.236061 2.479786


