%chk=000230229.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230229

0 1
O 2.052175 3.513462 -1.135191
O 4.959604 -2.268794 -0.264586
O -3.768765 -3.657024 -0.762085
O -3.852205 2.806157 0.196451
N 2.253962 0.174757 0.461529
N -2.080454 -0.451843 0.066917
C -0.046546 -0.081176 1.420976
C 1.449443 -0.377735 1.602526
C -0.605487 -0.719451 0.138700
C 2.245877 1.669342 0.438783
C 3.649390 -0.366916 0.481345
C -2.771331 -1.443022 -0.815664
C -2.370476 0.954034 -0.351431
C 2.334734 2.112008 -1.033238
C 3.639533 -1.709856 -0.273260
C -3.118870 -2.669186 0.049479
C -3.655914 1.396765 0.370792
H -0.223082 1.015178 1.405957
H -0.606793 -0.458043 2.300407
H 1.784790 0.008950 2.589777
H 1.607413 -1.479776 1.627082
H -0.048352 -0.344187 -0.747781
H -0.438835 -1.817967 0.168914
H 3.051785 2.132556 1.042437
H 1.287680 2.054711 0.862467
H 4.061972 -0.514276 1.502727
H 4.344807 0.334542 -0.025296
H -2.169369 -1.761176 -1.693877
H -3.704564 -1.008546 -1.231043
H -2.466651 1.084892 -1.448156
H -1.540105 1.630297 -0.040577
H 1.536860 1.651404 -1.647875
H 3.316834 1.897293 -1.484536
H 3.278976 -1.600828 -1.310032
H 3.040688 -2.481552 0.245436
H -3.758177 -2.403012 0.908183
H -2.218639 -3.199396 0.411639
H -3.565908 1.291437 1.469588
H -4.548864 0.853624 0.021342
H 2.741332 4.041658 -0.690163
H 5.559946 -1.749819 -0.832451
H -4.657014 -3.355501 -1.029917
H -3.987602 3.025813 -0.744295


%chk=000230229-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230229

0 1
O 2.600696 3.861116 -0.726196
O 4.656239 -2.406988 -0.705001
O -3.776596 -3.866673 -0.412218
O -4.039369 2.734385 -0.338881
N 2.296667 0.296738 0.562836
N -2.061384 -0.495530 0.001850
C -0.049374 -0.073259 1.460741
C 1.467314 -0.301297 1.643998
C -0.607875 -0.745882 0.189960
C 2.417545 1.769888 0.627287
C 3.581807 -0.411087 0.349984
C -2.768419 -1.594199 -0.696949
C -2.394301 0.858667 -0.491017
C 2.477974 2.396029 -0.782062
C 3.415476 -1.623056 -0.592556
C -3.197781 -2.705812 0.285392
C -3.701294 1.383906 0.139122
H -0.267295 1.012731 1.438924
H -0.582157 -0.476416 2.343547
H 1.778493 0.078602 2.648444
H 1.663105 -1.390987 1.650506
H -0.008992 -0.415457 -0.691031
H -0.463210 -1.840155 0.278160
H 3.315259 2.093114 1.215761
H 1.537650 2.188279 1.146658
H 4.036136 -0.764398 1.305654
H 4.307463 0.293875 -0.102838
H -2.150980 -2.053740 -1.504258
H -3.673803 -1.182824 -1.186895
H -2.481513 0.891373 -1.608135
H -1.582688 1.558155 -0.222781
H 1.533496 2.210182 -1.317084
H 3.306805 1.950406 -1.373517
H 3.053292 -1.277670 -1.582960
H 2.679797 -2.336116 -0.185171
H -3.895628 -2.287868 1.039836
H -2.321627 -3.115387 0.814619
H -3.576344 1.489302 1.227740
H -4.537367 0.675906 -0.048940
H 3.439137 4.097788 -0.254266
H 5.345038 -1.860917 -1.161095
H -4.626230 -3.594709 -0.842093
H -4.151363 2.709781 -1.323076


