%chk=000273224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273224

0 1
O -2.547425 0.211609 0.790869
O 0.906741 -2.853780 0.940207
O 0.319052 -2.093774 2.991067
O 4.475478 1.021973 -1.583284
O 4.056436 -1.126351 -1.010007
N 0.335969 0.084863 0.577422
C -0.578264 -1.039942 0.932757
C -1.756558 -0.504339 1.768000
C 1.271740 -0.256396 -0.535680
C 2.494549 0.665172 -0.398881
C 0.244288 -2.010518 1.790089
C -3.522987 1.106660 1.386970
C -4.213741 1.784398 0.234395
C 3.716423 0.035108 -0.999640
C 1.885303 -3.796827 1.506456
C -4.265224 1.175386 -1.026695
C -4.828320 3.029016 0.438471
C -4.927905 1.810312 -2.080551
C -5.494167 3.655504 -0.618219
C 2.998837 -3.850167 0.485817
C 5.758424 0.649812 -2.180172
C -5.544620 3.048898 -1.877876
C 6.796061 0.464677 -1.092963
H -0.980785 -1.587544 0.036409
H -1.419190 0.169201 2.577258
H -2.367133 -1.321568 2.190667
H -0.230065 0.910656 0.332584
H 1.598682 -1.326866 -0.443435
H 0.815422 -0.149823 -1.541433
H 2.697472 0.863368 0.683601
H 2.301216 1.664595 -0.841103
H -4.236439 0.505989 1.983487
H -2.995509 1.823991 2.042688
H 1.336192 -4.746925 1.614014
H 2.211283 -3.428776 2.496208
H -3.778507 0.209781 -1.175588
H -4.789891 3.509430 1.413691
H -4.964730 1.337421 -3.060583
H -5.973567 4.620155 -0.459972
H 2.660231 -4.270512 -0.469665
H 3.388778 -2.841772 0.249993
H 3.842412 -4.451684 0.841858
H 5.950576 1.528252 -2.822964
H 5.611640 -0.260374 -2.788351
H -6.062718 3.540769 -2.698623
H 7.800105 0.335818 -1.513881
H 6.577850 -0.423986 -0.481893
H 6.826088 1.325906 -0.413018


%chk=000273224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273224

0 1
O -2.338577 0.202498 0.629133
O 0.983455 -3.195432 1.294415
O -0.120304 -2.395429 3.182957
O 4.194820 1.485068 -1.805905
O 4.153181 -0.820831 -1.444866
N 0.415838 -0.257709 0.677979
C -0.538440 -1.359455 0.956753
C -1.810446 -0.774470 1.588730
C 1.449018 -0.542410 -0.341386
C 2.441320 0.633756 -0.406394
C 0.096282 -2.346748 1.949871
C -3.496701 0.931009 1.158580
C -4.047788 1.854862 0.087607
C 3.658592 0.315816 -1.256060
C 1.758757 -4.145951 2.156334
C -3.820908 1.599911 -1.286679
C -4.833747 2.972990 0.463280
C -4.377122 2.449852 -2.269714
C -5.395516 3.818220 -0.519363
C 2.738775 -4.868489 1.238295
C 5.454238 1.333662 -2.600579
C -5.168623 3.558779 -1.891225
C 6.680408 1.361049 -1.683522
H -0.813280 -1.920812 0.032658
H -1.559592 -0.283341 2.550913
H -2.553490 -1.575773 1.780922
H -0.128597 0.587853 0.449496
H 1.992502 -1.458491 -0.059420
H 1.014883 -0.728262 -1.354115
H 2.788178 0.848456 0.624247
H 1.968775 1.559303 -0.780866
H -4.274116 0.197219 1.473414
H -3.200551 1.510380 2.060570
H 1.040219 -4.831745 2.640790
H 2.263454 -3.560422 2.945647
H -3.201416 0.743960 -1.569796
H -5.005880 3.187174 1.526034
H -4.192571 2.246526 -3.330834
H -6.001196 4.679607 -0.215902
H 2.204506 -5.429374 0.452496
H 3.421990 -4.152736 0.749969
H 3.343490 -5.583524 1.825615
H 5.431239 2.194673 -3.287504
H 5.398940 0.388379 -3.168809
H -5.599737 4.215978 -2.654772
H 7.603264 1.332698 -2.292345
H 6.685402 0.486791 -1.011154
H 6.696577 2.281728 -1.074996


