%chk=000180347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180347

0 1
O -1.458577 -0.387213 -0.446080
O -0.313599 2.829632 -1.350779
O -0.757030 -2.290783 0.635638
O -0.957045 2.504156 0.763364
N 0.699508 -1.023690 -0.663342
C 1.048781 0.322315 -1.187702
C 1.945855 -1.745230 -0.244988
C 2.434326 0.088202 -1.842779
C 2.986891 -1.233575 -1.269320
C 1.114565 1.428874 -0.085261
C 2.325539 -1.445188 1.216538
C 1.343341 0.922074 1.350557
C 2.584815 0.037353 1.510951
C -0.529314 -1.316820 -0.058852
C -0.153709 2.255481 -0.103957
C -2.849097 -0.426022 0.112345
C -2.745511 -0.232342 1.616794
C -3.447228 0.784095 -0.601339
C -3.495623 -1.740075 -0.293431
H 0.281393 0.614937 -1.952503
H 1.761485 -2.843393 -0.358759
H 3.125226 0.925777 -1.655946
H 2.323297 0.017990 -2.939685
H 3.126521 -1.975874 -2.074635
H 3.974795 -1.089168 -0.803373
H 1.956796 2.121408 -0.356936
H 3.220911 -2.037742 1.485666
H 1.512205 -1.822808 1.875003
H 0.440382 0.382278 1.708389
H 1.428682 1.800841 2.023783
H 3.406675 0.413626 0.871861
H 2.953120 0.128783 2.553743
H -1.141250 3.372210 -1.421188
H -2.160798 0.669099 1.859836
H -3.731272 -0.119072 2.078241
H -2.250090 -1.087924 2.099458
H -3.274582 0.731151 -1.683197
H -2.992102 1.718200 -0.240449
H -4.526454 0.848715 -0.431216
H -2.975967 -2.596560 0.169978
H -4.544416 -1.787347 0.014198
H -3.452143 -1.895070 -1.377526


%chk=000180347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180347

0 1
O -1.491082 -0.340976 -0.394347
O -0.380031 2.881688 -1.285431
O -0.802850 -2.361621 0.651999
O -0.770246 2.595400 0.982185
N 0.712688 -0.924517 -0.394643
C 1.074770 0.325614 -1.088993
C 1.913768 -1.733991 -0.068072
C 2.418517 -0.037671 -1.807315
C 2.839960 -1.445141 -1.279680
C 1.225974 1.541606 -0.084514
C 2.513773 -1.320699 1.299868
C 1.678012 1.151181 1.345864
C 2.883903 0.178940 1.439133
C -0.549058 -1.300120 0.014123
C -0.059666 2.357572 -0.019188
C -2.948001 -0.478086 0.029453
C -3.033419 -0.451460 1.568647
C -3.578239 0.785276 -0.584512
C -3.543425 -1.762044 -0.582861
H 0.292082 0.583836 -1.818416
H 1.613214 -2.794423 -0.014770
H 3.192026 0.721543 -1.600330
H 2.268116 -0.056868 -2.900111
H 2.679548 -2.209206 -2.059855
H 3.904868 -1.480481 -0.990289
H 1.976935 2.217047 -0.543008
H 3.414432 -1.941595 1.481446
H 1.780388 -1.582734 2.087616
H 0.816251 0.717127 1.886442
H 1.922577 2.088680 1.881155
H 3.665450 0.456325 0.702682
H 3.350470 0.312059 2.434763
H -1.238157 3.381337 -1.221805
H -2.519353 0.444197 1.959987
H -4.094355 -0.406913 1.876839
H -2.576337 -1.353982 2.003734
H -3.418632 0.806181 -1.676869
H -3.133182 1.689686 -0.134664
H -4.665196 0.793329 -0.387316
H -3.054624 -2.656249 -0.166039
H -4.625324 -1.807672 -0.359333
H -3.417245 -1.760875 -1.680477


