%chk=000284201.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284201

0 1
O 2.173407 0.521195 -0.254595
O -2.750897 -1.483295 0.803775
O 1.821151 0.159444 1.979563
O -1.977568 -0.482214 -1.119995
O 8.046519 -0.442620 -2.131113
O 8.299190 -0.913965 -0.035377
N -0.917729 -0.189141 0.943508
N 7.623447 -0.572775 -0.993206
C -1.728997 2.784303 0.661151
C -0.328324 2.262269 1.059867
C -0.021486 0.880168 0.465403
C -1.885185 2.885020 -0.858202
C -1.967495 4.145958 1.324738
C 1.392237 0.462416 0.904898
C -1.902158 -0.676798 0.076341
C 3.526442 0.222310 -0.319778
C -3.848200 -2.114292 0.059547
C -5.007960 -1.165094 -0.021942
C 4.039021 0.362313 -1.625965
C 4.319042 -0.172503 0.764104
C 5.384179 0.098888 -1.841466
C 5.668387 -0.434356 0.535959
C 6.196039 -0.297120 -0.759225
C -6.055503 -1.248273 0.906019
C -5.044117 -0.192540 -1.032740
C -7.139227 -0.369779 0.814428
C -6.128265 0.683644 -1.119017
C -7.177565 0.594452 -0.197726
H -2.497026 2.066862 1.047381
H 0.442957 2.984115 0.719558
H -0.247324 2.237872 2.165490
H -0.066592 0.925927 -0.668324
H -1.099584 3.494112 -1.316207
H -1.865040 1.894114 -1.336697
H -2.844994 3.341568 -1.127422
H -2.974353 4.519660 1.102449
H -1.877450 4.091234 2.414779
H -1.259697 4.903847 0.971011
H -1.034980 -0.297858 1.953104
H -3.477815 -2.428426 -0.935205
H -4.038450 -3.000543 0.695112
H 3.377973 0.667742 -2.437550
H 3.894690 -0.278216 1.768063
H 5.824688 0.194141 -2.841582
H 6.323388 -0.746906 1.358948
H -6.027328 -1.992788 1.700221
H -4.215562 -0.118880 -1.743943
H -7.953879 -0.436851 1.533729
H -6.156270 1.436123 -1.905645
H -8.023635 1.276238 -0.268428


%chk=000284201-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284201

0 1
O 2.254079 0.529597 -0.361712
O -2.971168 -1.611082 0.713557
O 1.523771 -0.785640 1.458400
O -2.340514 -0.525708 -1.289448
O 8.529129 0.521614 -1.392012
O 8.461814 -0.916140 0.378990
N -1.126374 -0.290815 0.707698
N 7.893402 -0.137090 -0.480167
C -1.476506 2.772302 0.235847
C -0.169769 2.044386 0.647381
C -0.083331 0.565512 0.145824
C -1.591049 2.941710 -1.298031
C -1.542737 4.143517 0.950554
C 1.285060 -0.008580 0.514464
C -2.155443 -0.779991 -0.067563
C 3.653293 0.289862 -0.293538
C -4.202038 -2.138408 0.025565
C -5.368911 -1.183904 0.159390
C 4.382163 0.993806 -1.282723
C 4.299250 -0.559947 0.639514
C 5.777616 0.857809 -1.349242
C 5.700013 -0.694225 0.569092
C 6.420836 0.011774 -0.417026
C -6.283845 -1.312179 1.235362
C -5.562002 -0.149084 -0.793092
C -7.371845 -0.419942 1.363159
C -6.648819 0.743644 -0.665647
C -7.556341 0.610373 0.411705
H -2.334609 2.160911 0.582331
H 0.700047 2.599557 0.244228
H -0.078237 2.044105 1.752704
H -0.194420 0.549804 -0.952304
H -0.715483 3.487784 -1.700681
H -1.672265 1.969175 -1.814584
H -2.495820 3.523407 -1.553379
H -2.482398 4.669868 0.702228
H -1.497443 4.031531 2.050094
H -0.701310 4.792780 0.639410
H -1.035141 -0.626507 1.668779
H -3.942842 -2.322915 -1.030991
H -4.383737 -3.088798 0.550987
H 3.839497 1.634347 -1.983041
H 3.724791 -1.097596 1.393431
H 6.371762 1.385834 -2.098859
H 6.238823 -1.339280 1.267920
H -6.142020 -2.111091 1.973817
H -4.848880 -0.045348 -1.618487
H -8.074466 -0.529056 2.196834
H -6.791419 1.538287 -1.406521
H -8.402061 1.300733 0.507579


