%chk=000281987.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281987

0 1
O 3.231512 -1.754687 0.168121
O 4.178556 0.797559 -0.768954
O 2.206684 2.862692 -0.700675
O -2.107057 2.008343 0.544208
O -4.647320 1.550691 -0.115289
N 0.871400 -1.721565 1.563679
C 0.020674 0.160868 0.271333
C 0.993576 -1.080142 0.216736
C 0.138277 0.602831 1.756643
C 0.610245 -2.082080 -0.887513
C 0.438052 1.273448 -0.702528
C -1.419181 -0.211040 -0.057870
C 0.404032 -0.688440 2.545532
C 2.454330 -0.652157 -0.037465
C -0.812264 -2.595337 -0.676960
C -1.808261 -1.482831 -0.522885
C 1.883674 1.697569 -0.608306
C 2.849440 0.586022 -0.422109
C -2.436523 0.752613 0.092715
C -3.152998 -1.763022 -0.830012
C -3.783159 0.461646 -0.221652
C -4.149830 -0.798223 -0.687306
C 4.675296 -1.635561 0.038783
C 4.826775 1.899956 -0.074579
C -5.782920 1.332363 0.761759
H -0.772731 1.123801 2.102308
H 0.958373 1.329860 1.886382
H 1.324068 -2.931772 -0.886164
H 0.706918 -1.595098 -1.877362
H -0.214110 2.167900 -0.539177
H 0.227798 0.965741 -1.749535
H 1.753242 -2.155899 1.853750
H 1.123512 -0.527130 3.369066
H -0.534267 -1.080308 2.996831
H -0.842803 -3.215281 0.252830
H -1.092824 -3.272785 -1.507396
H -3.423856 -2.754514 -1.189751
H -5.184956 -1.016368 -0.938981
H -2.930293 2.589022 0.567670
H 4.998251 -2.669882 0.196880
H 5.060377 -0.958429 0.805337
H 4.932409 -1.269583 -0.963572
H 5.842628 1.851397 -0.478343
H 4.806352 1.733770 1.002912
H 4.338620 2.847499 -0.342565
H -5.443160 1.060350 1.764268
H -6.439611 0.566099 0.341493
H -6.271445 2.313996 0.754512


%chk=000281987-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000281987

0 1
O 3.302624 -1.747359 0.153897
O 4.277701 0.895291 -0.662845
O 2.247661 2.825064 -1.171281
O -2.093317 2.053355 0.766839
O -4.637281 1.552364 0.439273
N 0.932809 -1.693001 1.539345
C 0.074949 0.176282 0.315864
C 1.028338 -1.063767 0.191661
C 0.339581 0.626989 1.793427
C 0.581115 -2.055515 -0.916370
C 0.430712 1.268161 -0.728596
C -1.406211 -0.218793 0.118351
C 0.511780 -0.701118 2.570170
C 2.490574 -0.642444 -0.074140
C -0.809738 -2.612904 -0.583392
C -1.823846 -1.510051 -0.331029
C 1.902750 1.658151 -0.793512
C 2.900607 0.621105 -0.464125
C -2.417429 0.749223 0.345203
C -3.196402 -1.786786 -0.527183
C -3.793528 0.450639 0.153906
C -4.197509 -0.820127 -0.285341
C 4.737406 -1.793402 -0.203549
C 4.817128 2.049601 0.092571
C -6.075181 1.368145 0.250896
H -0.475011 1.254800 2.179820
H 1.272210 1.218520 1.831156
H 1.316830 -2.876983 -0.986160
H 0.572134 -1.531286 -1.892701
H -0.156400 2.181345 -0.539186
H 0.144265 0.910082 -1.739310
H 1.737646 -2.283157 1.771291
H 1.259593 -0.600776 3.382199
H -0.444659 -1.016040 3.031800
H -0.714960 -3.227962 0.332504
H -1.165016 -3.273468 -1.396869
H -3.488940 -2.783540 -0.876844
H -5.252553 -1.061408 -0.445039
H -2.946197 2.561718 0.845811
H 5.005689 -2.855403 -0.085529
H 5.331862 -1.162153 0.475287
H 4.891803 -1.456350 -1.239771
H 5.889508 2.077489 -0.156880
H 4.686462 1.897182 1.182960
H 4.318840 2.978046 -0.228228
H -6.461791 0.571382 0.914957
H -6.307375 1.121309 -0.802864
H -6.533731 2.331454 0.518353


