%chk=000279064.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279064

0 1
O -1.169110 -0.280532 0.194054
O -0.439710 1.854624 0.198679
O 4.724188 1.084171 -0.203478
O 4.886792 -1.762841 -0.313081
N -4.965093 -1.164457 -0.733340
C -4.751624 -1.048127 0.747735
C -4.605401 0.211420 -1.216114
C -5.460598 0.291783 1.083711
C -5.361605 1.126102 -0.215033
C -3.237974 -0.974535 1.064749
C -3.075800 0.422122 -1.121201
C -2.569344 0.180912 0.307681
C -0.176950 0.671272 0.143277
C 1.155191 0.040706 0.023764
C 2.275835 0.894723 -0.029578
C 1.312651 -1.346970 -0.035062
C 3.549434 0.351157 -0.141931
C 2.589176 -1.901030 -0.148190
C 3.715497 -1.066388 -0.202681
C 4.606211 2.527282 -0.142822
C 6.132865 -1.019757 -0.378827
H -5.216818 -1.913919 1.264659
H -4.956251 0.347392 -2.260847
H -4.997229 0.802912 1.939445
H -6.514592 0.109457 1.351828
H -6.365146 1.369250 -0.601662
H -4.841252 2.081440 -0.054201
H -2.743035 -1.928860 0.794038
H -3.071292 -0.861422 2.150743
H -2.799837 1.442978 -1.446459
H -2.553440 -0.258520 -1.821056
H -2.572456 1.121711 0.900428
H -4.371625 -1.885189 -1.151479
H 2.114012 1.973967 0.019345
H 0.434082 -1.996517 0.007973
H 2.731299 -2.980794 -0.195447
H 5.656762 2.837158 -0.210014
H 4.166366 2.834686 0.810689
H 4.031693 2.899718 -0.996238
H 6.136968 -0.373038 -1.262800
H 6.869355 -1.827253 -0.460894
H 6.269202 -0.435496 0.537538


%chk=000279064-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279064

0 1
O -1.171254 -0.524115 0.169565
O -0.458945 1.704051 0.161668
O 4.706996 1.226908 -0.196806
O 5.090999 -1.690255 -0.257385
N -5.288394 -0.950401 -0.692863
C -4.923084 -0.945920 0.757446
C -4.674809 0.319292 -1.192113
C -5.369483 0.488691 1.171225
C -5.205530 1.338339 -0.139716
C -3.388377 -1.168441 0.949927
C -3.115717 0.225718 -1.191598
C -2.598000 -0.059051 0.234820
C -0.188162 0.472632 0.123799
C 1.180369 -0.094356 0.028999
C 2.267541 0.814547 -0.033237
C 1.434835 -1.487743 -0.005513
C 3.596860 0.360368 -0.129805
C 2.757900 -1.947478 -0.100418
C 3.855939 -1.051833 -0.164454
C 4.435507 2.666580 -0.166726
C 6.373499 -0.965562 -0.336731
H -5.482725 -1.729740 1.297211
H -5.034498 0.544723 -2.211302
H -4.764838 0.878105 2.009721
H -6.423915 0.474263 1.493423
H -6.180399 1.738276 -0.464502
H -4.513838 2.189924 -0.013388
H -3.109608 -2.151858 0.522178
H -3.122119 -1.188036 2.023715
H -2.662134 1.159113 -1.572859
H -2.805089 -0.599981 -1.862597
H -2.603695 0.876799 0.822615
H -4.946922 -1.787229 -1.192466
H 2.032125 1.882426 -0.004360
H 0.600497 -2.191266 0.042426
H 2.988745 -3.016517 -0.128866
H 5.423923 3.145098 -0.231297
H 3.936763 2.961841 0.776372
H 3.812023 2.975743 -1.027622
H 6.417749 -0.331666 -1.237023
H 7.125451 -1.768031 -0.391193
H 6.535213 -0.342660 0.557630


