%chk=000261967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261967

0 1
O 1.998165 -1.969387 -0.347420
O -1.998054 1.961386 0.379292
O -0.761005 -2.538487 -0.478835
O 0.760897 2.530427 0.510157
N 2.674854 0.716455 0.465551
N -2.674864 -0.724528 -0.434603
C 5.131343 0.725305 0.170961
C -5.130827 -0.733955 -0.135607
C 3.885856 -0.136729 0.412200
C -3.886137 0.128202 -0.380567
C 6.388641 -0.152145 0.115723
C -6.388475 0.142977 -0.080160
C 1.414956 0.276572 0.228010
C -1.415056 -0.284644 -0.196563
C 7.647996 0.691932 -0.126615
C -7.647037 -0.701251 0.165753
C 1.022635 -1.009592 -0.094985
C -1.022739 1.001457 0.126597
C -0.352997 -1.406775 -0.281979
C 0.352915 1.398694 0.313461
C 8.902683 -0.175836 -0.184144
C -8.902167 0.165913 0.222701
C 1.985000 -3.087838 0.585158
C -1.985402 3.079393 -0.553838
H 5.026454 1.290643 -0.777415
H 5.240023 1.486425 0.968927
H -5.240391 -1.496776 -0.931825
H -5.024134 -1.297295 0.813757
H 3.970982 -0.706640 1.366129
H 3.767263 -0.905848 -0.397259
H -3.973191 0.696298 -1.335409
H -3.766554 0.898824 0.427328
H 6.287182 -0.910170 -0.686106
H 6.496936 -0.723039 1.058428
H -6.498491 0.711996 -1.023796
H -6.286171 0.902595 0.720054
H 2.808161 1.716370 0.661961
H -2.808047 -1.724493 -0.630941
H 7.754790 1.450456 0.673668
H 7.544522 1.261480 -1.071376
H -7.542064 -1.268424 1.111779
H -7.754362 -1.461794 -0.632537
H 8.847893 -0.914242 -0.992505
H 9.059363 -0.725221 0.751195
H 9.797036 0.433381 -0.358951
H -9.060253 0.713019 -0.713737
H -8.846876 0.906238 1.029270
H -9.795960 -0.443418 0.399959
H 2.129103 -2.734784 1.606568
H 1.042804 -3.639625 0.478270
H 2.830413 -3.686985 0.234852
H -2.830329 3.678954 -0.203066
H -1.042969 3.630966 -0.448033
H -2.130514 2.725862 -1.574938


%chk=000261967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261967

0 1
O 1.883097 -2.184930 -0.264449
O -1.883026 2.176513 0.298705
O -0.956645 -2.478786 -0.687459
O 0.956684 2.470225 0.722393
N 2.697179 0.549203 0.467945
N -2.697049 -0.557601 -0.433728
C 5.139287 0.665561 0.068260
C -5.139025 -0.673929 -0.033259
C 3.949623 -0.225177 0.482211
C -3.949533 0.216700 -0.448003
C 6.486467 -0.084853 0.160356
C -6.486487 0.075828 -0.126679
C 1.417683 0.149287 0.243346
C -1.417603 -0.157761 -0.208734
C 7.691609 0.787664 -0.258898
C -7.691238 -0.796497 0.294091
C 0.951980 -1.134137 -0.078921
C -0.951902 1.125651 0.113516
C -0.447848 -1.344346 -0.337671
C 0.447905 1.335807 0.372512
C 9.038356 0.040280 -0.155211
C -9.038409 -0.050163 0.188456
C 1.607629 -3.438543 0.475758
C -1.607343 3.429974 -0.441687
H 4.980200 1.027975 -0.966481
H 5.177776 1.564290 0.719901
H -5.177012 -1.573428 -0.683866
H -4.980082 -1.035106 1.001932
H 4.128224 -0.625877 1.503772
H 3.838919 -1.090529 -0.188189
H -4.128485 0.616770 -1.469750
H -3.838654 1.082411 0.221890
H 6.450445 -0.990086 -0.480531
H 6.640152 -0.443766 1.199550
H -6.640293 0.432797 -1.166521
H -6.450859 0.982230 0.512572
H 2.739014 1.556000 0.712579
H -2.738827 -1.564347 -0.678619
H 7.721830 1.696438 0.376377
H 7.541216 1.140408 -1.299361
H -7.540906 -1.146945 1.335341
H -7.720733 -1.706639 -0.339260
H 9.046785 -0.855863 -0.804018
H 9.227287 -0.295352 0.882015
H 9.882613 0.685321 -0.460142
H -9.227254 0.283184 -0.849524
H -9.047584 0.847331 0.835378
H -9.882353 -0.695090 0.494496
H 1.555579 -3.243160 1.565026
H 0.665241 -3.887823 0.123481
H 2.461790 -4.096129 0.250779
H -2.461493 4.087667 -0.216965
H -0.664999 3.879267 -0.089308
H -1.555130 3.234383 -1.530904


