%chk=000259576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259576

0 1
O 1.393092 3.621759 -0.022110
O 5.089368 1.073194 0.295970
O -2.802340 0.820102 1.153853
O 3.804720 0.661462 -1.520453
O -1.034886 -0.142103 0.037281
O 2.464063 -5.125961 0.087752
N 1.481542 1.344248 -0.046591
N -1.528239 2.127785 -0.158997
C -0.453549 2.429329 -1.127772
C -0.756371 3.717266 -1.946072
C 2.772068 1.288145 0.658329
C 0.883640 2.564984 -0.351192
C -1.876163 3.442343 -2.952476
C -1.084481 4.921526 -1.063344
C 2.749825 0.253821 1.801397
C 2.689822 -1.172448 1.330891
C 3.877115 0.956546 -0.356260
C -1.718323 0.836816 0.298020
C 3.877936 -1.895764 1.150263
C 1.451244 -1.791490 1.079894
C 3.847357 -3.228310 0.733186
C 1.392594 -3.117123 0.661985
C 2.598933 -3.819238 0.496213
C -3.217359 -0.495464 1.652855
C -4.115981 -1.157180 0.648751
C 6.281773 0.837578 -0.498455
C -5.508804 -1.077887 0.786669
C -3.558486 -1.860323 -0.429914
C -6.338487 -1.710075 -0.144235
C -4.391693 -2.488419 -1.358258
C -5.781655 -2.416380 -1.215107
H -0.361942 1.567746 -1.852438
H 0.185243 3.953237 -2.512620
H 3.003043 2.313296 1.085634
H -2.811426 3.149951 -2.461099
H -2.093014 4.336180 -3.550316
H -1.611289 2.642267 -3.653099
H -2.039333 4.822401 -0.539911
H -0.293885 5.078457 -0.308977
H -1.138951 5.840222 -1.659340
H 1.045923 0.445419 -0.295290
H 3.656817 0.412760 2.427416
H 1.890748 0.475852 2.470852
H -2.126101 2.892071 0.153586
H 4.839623 -1.411421 1.330296
H 0.519193 -1.228367 1.200563
H 4.767650 -3.784588 0.594414
H 0.445960 -3.612106 0.456755
H -3.731915 -0.201764 2.587883
H -2.316383 -1.095847 1.882535
H 7.083581 0.915331 0.242569
H 6.360747 1.611670 -1.268525
H 6.233611 -0.156602 -0.953966
H -5.947659 -0.522730 1.614055
H -2.470860 -1.903416 -0.545408
H 3.338029 -5.569522 -0.032424
H -7.420017 -1.650246 -0.035170
H -3.957122 -3.034536 -2.194410
H -6.429547 -2.908956 -1.938340


%chk=000259576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259576

0 1
O 1.607443 3.603092 -0.184888
O 5.129351 1.311619 0.600135
O -2.899989 0.921439 1.120644
O 3.862446 1.026316 -1.333885
O -1.083109 -0.186672 0.092157
O 2.787343 -5.203879 -0.408258
N 1.475228 1.309074 0.175664
N -1.471758 2.105060 -0.193533
C -0.342065 2.346256 -1.116239
C -0.629597 3.553085 -2.052141
C 2.745287 1.250735 0.893328
C 0.999819 2.498457 -0.335908
C -1.674672 3.166190 -3.125256
C -1.051337 4.835913 -1.293138
C 2.785066 0.078461 1.926631
C 2.793822 -1.318465 1.317551
C 3.924813 1.174856 -0.098377
C -1.758508 0.866437 0.310435
C 4.021388 -1.978094 1.054970
C 1.587409 -1.995273 0.990577
C 4.054274 -3.267530 0.481918
C 1.603019 -3.281614 0.416208
C 2.838678 -3.917482 0.160508
C -3.381816 -0.397054 1.663682
C -4.366500 -1.059390 0.724875
C 6.353987 1.295686 -0.236258
C -5.759178 -0.838351 0.874502
C -3.908082 -1.909268 -0.315491
C -6.681834 -1.451652 -0.002114
C -4.829567 -2.522144 -1.192774
C -6.217716 -2.295529 -1.038020
H -0.245056 1.435264 -1.738901
H 0.333345 3.771741 -2.551999
H 2.867801 2.204671 1.440531
H -2.635657 2.873120 -2.661572
H -1.872528 4.020178 -3.798434
H -1.325936 2.319217 -3.745051
H -2.062366 4.745702 -0.845400
H -0.319702 5.083338 -0.507013
H -1.101002 5.685379 -1.997891
H 0.945982 0.445338 -0.002506
H 3.690920 0.227019 2.539322
H 1.908487 0.208111 2.588539
H -2.048308 2.893715 0.103139
H 4.963842 -1.478329 1.309276
H 0.619043 -1.518100 1.182581
H 5.016290 -3.761976 0.292278
H 0.675322 -3.802234 0.161646
H -3.850919 -0.110347 2.617811
H -2.496718 -1.031447 1.842125
H 7.182726 1.424833 0.473877
H 6.323222 2.121320 -0.966580
H 6.434058 0.337702 -0.777645
H -6.119463 -0.183443 1.677617
H -2.831086 -2.071565 -0.436738
H 3.698786 -5.556762 -0.561247
H -7.756150 -1.276192 0.122826
H -4.467609 -3.176864 -1.993266
H -6.931967 -2.774164 -1.717531


