%chk=000251602.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251602

0 1
O -3.468868 -1.123576 0.898832
O 3.987771 1.259168 0.023843
O -2.725443 2.444750 -0.513672
N -1.694900 -2.212487 -0.103197
N 3.004567 -0.836184 -0.009509
N -0.483398 2.563387 0.029527
C 0.658367 -1.535722 -0.029236
C -0.712423 -1.172029 -0.038143
C 1.615092 -0.487528 -0.010058
C -0.149217 1.176557 0.002362
C -1.119294 0.168955 -0.017954
C 1.221710 0.853967 0.007287
C 1.056701 -2.978849 -0.025430
C -3.036886 -2.109762 0.346681
C 4.105454 0.051467 0.010066
C -1.766334 3.119667 -0.212378
C -3.847494 -3.350488 0.081679
C 5.436786 -0.651329 0.010175
C -1.801336 4.616784 -0.067978
H -2.190453 0.427638 -0.009460
H 1.977931 1.644941 0.018424
H 2.129784 -3.135580 0.154827
H 0.539332 -3.531204 0.773882
H 0.827986 -3.458287 -0.987950
H -1.380346 -3.101206 -0.493243
H 3.197907 -1.845987 -0.013825
H 0.298232 3.199353 0.210673
H -3.911033 -3.589842 -0.987785
H -4.882052 -3.195837 0.434233
H -3.460180 -4.229967 0.610128
H 5.579906 -1.284248 0.895470
H 6.249059 0.096176 0.019871
H 5.588042 -1.270257 -0.883579
H -1.519781 4.948250 0.940394
H -2.826470 4.982435 -0.249462
H -1.149021 5.125575 -0.789397


%chk=000251602-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251602

0 1
O -3.400503 -1.327993 1.216215
O 4.049187 1.283980 0.054660
O -2.844212 2.549800 -0.386311
N -1.713087 -2.209290 -0.160648
N 2.981447 -0.812768 -0.026921
N -0.524256 2.591476 -0.017215
C 0.642068 -1.522005 -0.024846
C -0.735058 -1.163613 -0.071745
C 1.598244 -0.457720 -0.024141
C -0.192014 1.206353 -0.031242
C -1.165875 0.183983 -0.069451
C 1.189174 0.892888 -0.018898
C 1.090030 -2.974037 0.053702
C -2.978563 -2.231549 0.443695
C 4.102921 0.018432 0.012638
C -1.774505 3.193886 -0.182776
C -3.824463 -3.453540 0.082895
C 5.439877 -0.721646 0.002675
C -1.758395 4.719771 -0.093800
H -2.225207 0.434081 -0.094478
H 1.953833 1.673853 -0.009642
H 1.883022 -3.116186 0.814326
H 0.262436 -3.630408 0.369397
H 1.475976 -3.361184 -0.911874
H -1.470433 -3.018874 -0.732967
H 3.177152 -1.813478 -0.067601
H 0.270181 3.223247 0.103763
H -4.685354 -3.124844 -0.525959
H -4.228498 -3.893403 1.009743
H -3.275994 -4.231889 -0.476942
H 5.995451 -0.469333 0.922542
H 6.041260 -0.361958 -0.849716
H 5.347833 -1.819928 -0.065234
H -2.382813 5.033257 0.760983
H -2.220622 5.135215 -1.005324
H -0.750542 5.154124 0.026594


