%chk=000241288.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241288

0 1
O 4.318314 -0.923891 0.496304
O 4.280656 1.077502 -0.716362
C 6.461455 0.163718 -0.033710
C 5.661899 -0.704521 0.970746
C 5.621678 1.433432 -0.324683
C 3.575261 0.282620 0.252139
C 2.292425 -0.162508 -0.442651
C 1.040825 0.276630 0.320730
C -0.235187 -0.183077 -0.397795
C 7.800957 0.568807 0.593250
C 6.682674 -0.618716 -1.331899
C -1.493984 0.254614 0.362960
C -2.770036 -0.204632 -0.355435
C -4.029691 0.232535 0.404436
C -5.305648 -0.226858 -0.314035
C -6.565646 0.210300 0.445322
C -7.841224 -0.249190 -0.273284
C -9.102609 0.187400 0.485178
C -10.375367 -0.267580 -0.225673
H 5.616952 -0.250108 1.973990
H 6.054174 -1.733730 1.045371
H 5.984185 1.986393 -1.208732
H 5.572541 2.111070 0.543305
H 3.467458 0.851202 1.193860
H 2.287330 0.243704 -1.478119
H 2.315686 -1.268158 -0.561902
H 1.061205 -0.135974 1.348771
H 1.032590 1.379101 0.430287
H -0.255618 0.225403 -1.426904
H -0.227252 -1.284637 -0.511148
H 7.672965 1.130447 1.524173
H 8.386657 1.194751 -0.090184
H 8.414983 -0.310235 0.821692
H 7.247119 -1.540508 -1.165042
H 5.708829 -0.899521 -1.765106
H 7.218688 -0.028964 -2.080913
H -1.502007 1.355922 0.476117
H -1.473856 -0.154369 1.391590
H -2.790529 0.203880 -1.384259
H -2.762409 -1.305914 -0.469035
H -4.009474 -0.176086 1.433131
H -4.037645 1.333750 0.517793
H -5.325998 0.181404 -1.342897
H -5.297997 -1.328100 -0.427421
H -6.573426 1.311521 0.558506
H -6.545412 -0.198122 1.474079
H -7.834880 -1.350199 -0.387285
H -7.862867 0.158370 -1.302206
H -9.111289 1.289197 0.597886
H -9.083113 -0.221496 1.514334
H -10.444482 0.150507 -1.236340
H -10.416987 -1.358666 -0.319587
H -11.269775 0.048979 0.322257


%chk=000241288-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241288

0 1
O 3.914528 -0.334946 0.545946
O 4.729557 0.852009 -1.393249
C 6.390436 -0.107029 0.224886
C 5.210924 -0.180363 1.234216
C 6.053211 1.041226 -0.766696
C 3.684652 0.786393 -0.368658
C 2.347598 0.575243 -1.065975
C 1.145838 0.609284 -0.096775
C -0.198599 0.364266 -0.817026
C 7.691726 0.238108 0.984811
C 6.532746 -1.448110 -0.532165
C -1.414485 0.393207 0.136017
C -2.758724 0.137770 -0.582258
C -3.977135 0.161728 0.368076
C -5.319818 -0.096632 -0.352197
C -6.539465 -0.075692 0.596863
C -7.881577 -0.335396 -0.124091
C -9.101254 -0.314952 0.825662
C -10.437961 -0.574067 0.097344
H 5.190077 0.743420 1.857659
H 5.298168 -1.060047 1.893928
H 6.770764 1.076365 -1.603645
H 6.069985 2.018342 -0.230375
H 3.718268 1.733757 0.228530
H 2.243457 1.359534 -1.839594
H 2.392205 -0.398708 -1.588784
H 1.296316 -0.154520 0.689739
H 1.110195 1.592526 0.418456
H -0.337560 1.127339 -1.611724
H -0.161875 -0.617930 -1.333061
H 7.606236 1.197203 1.531357
H 8.545041 0.320146 0.285795
H 7.937442 -0.551210 1.719811
H 6.755655 -2.273047 0.170518
H 5.599932 -1.690062 -1.068062
H 7.355490 -1.396940 -1.269936
H -1.454967 1.376472 0.650259
H -1.273287 -0.367603 0.931899
H -2.899778 0.899478 -1.377711
H -2.716361 -0.844506 -1.098096
H -3.835794 -0.599514 1.163825
H -4.021147 1.144288 0.883375
H -5.461510 0.665216 -1.147372
H -5.274694 -1.078485 -0.868661
H -6.585392 0.906403 1.112974
H -6.397580 -0.837316 1.392250
H -7.837111 -1.317427 -0.640358
H -8.025193 0.426206 -0.919203
H -9.144020 0.666307 1.341427
H -8.956747 -1.076271 1.619468
H -10.619658 0.191828 -0.680327
H -10.432405 -1.561849 -0.401351
H -11.293250 -0.554039 0.797860


