%chk=000281826.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281826

0 1
O -1.840918 -2.009780 1.780764
O 0.651394 -3.242511 0.128574
O 0.556967 3.656384 1.109672
O 3.552924 -0.350832 -1.034160
O 4.596212 2.340095 -0.855755
O -2.996571 1.382737 -1.275539
O -1.270604 -3.440580 -1.120100
N -0.511927 0.899506 0.716562
N -3.983779 0.391877 0.525878
N -0.779400 -4.918708 0.620028
C -2.723813 0.202613 1.273474
C -1.893510 -1.037296 0.732350
C -1.782557 1.449322 1.224659
C -0.559256 -0.470363 0.392478
C 0.674652 -0.835439 -0.155438
C 0.712110 1.411266 0.399014
C 1.481197 0.342804 -0.142189
C 1.106314 -2.143177 -0.711756
C 1.226172 2.794871 0.578415
C 2.851149 0.535334 -0.587593
C -5.150960 -0.341513 1.075679
C 2.608620 2.986557 0.077217
C -4.000216 0.878212 -0.802317
C 3.347417 1.969358 -0.448491
C 3.153755 4.370828 0.172382
C -5.301945 0.808910 -1.545258
C -0.568017 -3.817100 -0.205362
C 5.497680 1.338815 -1.404391
H -2.983046 -0.010255 2.345610
H -2.386582 -1.579338 -0.109457
H -2.156678 2.251057 0.535981
H -1.644436 1.919089 2.220765
H 0.734961 -2.283364 -1.750302
H 2.213298 -2.272035 -0.678880
H -1.070918 -1.855693 2.370183
H -5.008473 -0.564297 2.147044
H -5.314799 -1.301460 0.556033
H -6.062991 0.273225 0.989027
H 3.119937 4.872888 -0.806677
H 4.206196 4.366959 0.494961
H 2.580966 4.990083 0.880115
H -5.178478 1.261626 -2.545158
H -5.640270 -0.223821 -1.703527
H -6.106673 1.360253 -1.041857
H 5.701925 0.560470 -0.662558
H 6.384969 1.947746 -1.614865
H 5.074891 0.904839 -2.316405
H -0.201162 -5.033057 1.441200
H -1.730428 -5.253006 0.711272


%chk=000281826-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281826

0 1
O -1.951875 -2.058677 1.453292
O 0.220476 -3.156353 0.268453
O 0.388017 3.843914 0.363135
O 3.845327 -0.424661 -0.447195
O 4.837193 2.343192 -0.502304
O -3.621638 0.471594 -1.576504
O 0.508218 -4.507172 -1.650051
N -0.511605 0.975303 0.328928
N -4.094989 0.316239 0.687663
N -1.438685 -4.602386 -0.328947
C -2.654882 0.277211 1.009776
C -1.880252 -0.972307 0.451802
C -1.851755 1.546989 0.559118
C -0.493094 -0.418906 0.239879
C 0.829086 -0.837924 -0.006970
C 0.755535 1.478133 0.136325
C 1.613349 0.370650 -0.067907
C 1.328138 -2.250368 -0.138746
C 1.199983 2.872989 0.153525
C 3.042480 0.557234 -0.283424
C -5.017626 0.144239 1.827323
C 2.651583 3.080895 -0.085102
C -4.490437 0.407644 -0.645097
C 3.508361 2.002203 -0.295315
C 3.172444 4.496673 -0.094455
C -5.984424 0.435029 -0.955725
C -0.192336 -4.143853 -0.680306
C 5.906409 1.366552 -0.815106
H -2.577237 0.184336 2.107642
H -2.330433 -1.319274 -0.495153
H -2.249845 1.959478 -0.381251
H -1.810450 2.339037 1.322552
H 1.633272 -2.510735 -1.169216
H 2.187365 -2.445188 0.524533
H -1.066050 -2.525886 1.405450
H -4.892116 0.964173 2.559710
H -4.819866 -0.815829 2.338969
H -6.062546 0.148055 1.488181
H 3.642545 4.738885 -1.065525
H 3.955860 4.636989 0.672967
H 2.344752 5.198089 0.094856
H -6.089637 0.568216 -2.042312
H -6.483031 -0.508783 -0.667949
H -6.502345 1.266569 -0.444227
H 6.059831 0.665299 0.019678
H 6.792701 2.001769 -0.967908
H 5.668598 0.794616 -1.725951
H -1.994419 -4.115103 0.379609
H -1.844648 -5.354687 -0.879419


