%chk=000287768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287768

0 1
O -4.141522 -0.807324 1.883538
O 4.139781 -0.812357 -1.884719
O -3.085512 3.316529 0.493343
O 3.091553 3.311679 -0.489030
N -1.363372 2.188070 -0.487586
N 1.366971 2.184839 0.489394
C -0.548514 3.435040 -0.536418
C -0.547566 0.950251 -0.546034
C 0.554441 3.433248 0.539997
C 0.548925 0.948402 0.545940
C -2.617316 2.242071 0.153433
C 2.621322 2.237542 -0.150886
C -3.366081 0.957315 0.298703
C 3.367946 0.951717 -0.297695
C -3.661193 0.563722 1.713249
C 3.663471 0.559864 -1.712655
C -3.837621 0.258124 -0.748137
C 3.837600 0.249974 0.748292
C -4.589604 -0.966977 -0.516155
C 4.587498 -0.976121 0.514738
C -4.702580 -1.444949 0.808029
C 4.699716 -1.452520 -0.810088
C -5.188957 -1.714149 -1.545020
C 5.185390 -1.725767 1.542638
C -5.366635 -2.647838 1.113652
C 5.361482 -2.656248 -1.117270
C -5.859426 -2.899809 -1.254784
C 5.853665 -2.912296 1.250854
C -5.941646 -3.364281 0.069728
C 5.935072 -3.375172 -0.074256
H -1.216746 4.319969 -0.397261
H -0.106326 3.517248 -1.554161
H -0.083605 0.894372 -1.557830
H -1.186339 0.046266 -0.440273
H 1.224324 4.317127 0.402089
H 0.112402 3.514849 1.557856
H 0.084866 0.891782 1.557644
H 1.186021 0.043400 0.438728
H -2.765814 0.567929 2.364115
H -4.458106 1.205014 2.147244
H 2.768898 0.567855 -2.364582
H 4.462750 1.199622 -2.144541
H -3.666452 0.564032 -1.782002
H 3.666333 0.554460 1.782557
H -5.125057 -1.358878 -2.573870
H 5.122092 -1.371757 2.571958
H -5.421961 -2.986758 2.145499
H 5.416230 -2.993912 -2.149560
H -6.323450 -3.473048 -2.054456
H 6.316579 -3.487453 2.049794
H -6.466774 -4.297199 0.280575
H 6.458446 -4.308800 -0.286317


%chk=000287768-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287768

0 1
O -4.956714 -0.480108 2.081711
O 4.959565 -0.485449 -2.081608
O -3.075670 3.221159 0.988600
O 3.082313 3.216463 -0.983692
N -1.429893 2.024172 -0.156482
N 1.432594 2.019964 0.156313
C -0.655070 3.264440 -0.400360
C -0.667721 0.784663 -0.401888
C 0.660907 3.261341 0.404174
C 0.667317 0.781405 0.396935
C -2.667435 2.117087 0.484611
C 2.671112 2.111992 -0.483011
C -3.567517 0.927669 0.554936
C 3.568820 0.920908 -0.554906
C -4.503432 0.900505 1.755890
C 4.507200 0.895030 -1.753945
C -3.781411 0.023822 -0.454224
C 3.778975 0.014390 0.452637
C -4.780632 -1.033912 -0.311615
C 4.777155 -1.044304 0.310062
C -5.331628 -1.271454 0.985971
C 5.331133 -1.279509 -0.986675
C -5.155161 -1.897147 -1.374721
C 5.148298 -1.910137 1.372233
C -6.198182 -2.357528 1.221531
C 6.197370 -2.365788 -1.222426
C -6.044913 -2.968407 -1.156065
C 6.037693 -2.981673 1.153468
C -6.557015 -3.199949 0.145566
C 6.552844 -3.210815 -0.147381
H -1.283740 4.117699 -0.099673
H -0.426945 3.335965 -1.481734
H -0.438885 0.695182 -1.483459
H -1.262438 -0.088035 -0.093578
H 1.291775 4.113982 0.106350
H 0.432854 3.329885 1.485761
H 0.438192 0.688209 1.478146
H 1.259974 -0.091532 0.085265
H -4.012492 1.263689 2.670799
H -5.397720 1.528851 1.567263
H 4.018584 1.260603 -2.669155
H 5.401799 1.521994 -1.562217
H -3.212722 0.074834 -1.390532
H 3.208198 0.064221 1.387739
H -4.737209 -1.722127 -2.373722
H 4.728080 -1.736855 2.370586
H -6.582875 -2.522429 2.232323
H 6.584455 -2.528830 -2.232606
H -6.333274 -3.623263 -1.984407
H 6.323480 -3.638532 1.981115
H -7.241909 -4.036310 0.323058
H 7.237517 -4.047337 -0.324962


