%chk=000297092.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297092

0 1
O -2.556964 2.835888 -0.159587
O -1.725584 -0.582253 0.386862
O -4.797491 2.810519 -0.457995
O 4.544691 -0.603514 -1.275802
O -7.775626 -2.889840 -0.263049
N 1.404451 1.720753 0.449439
N -3.575240 0.795079 -0.048310
C -1.461122 1.870300 0.087794
C -0.810197 2.272512 1.406853
C -0.512396 1.963086 -1.102224
C 0.493811 1.485194 1.618464
C 0.783289 1.190296 -0.809497
C -2.189480 0.505263 0.171447
C 2.751544 1.102806 0.682947
C -3.787274 2.203986 -0.246117
C 3.781653 1.847604 -0.185779
C -4.641778 -0.181908 -0.078300
C 5.197642 1.302806 0.019969
C -4.473870 -1.413971 0.570756
C -5.840590 0.112622 -0.764737
C 5.393048 -0.069140 -0.592548
C -5.497433 -2.365151 0.538321
C -6.862576 -0.823732 -0.796407
C 6.688789 -0.763403 -0.300020
C -6.681470 -2.062861 -0.142853
C 7.844001 -0.074002 0.093859
C 6.730249 -2.159420 -0.447528
C 9.025322 -0.775962 0.347651
C 7.910578 -2.860059 -0.187848
C 9.058581 -2.168265 0.210711
C -7.709621 -4.192909 0.365102
H -0.593366 3.364922 1.371947
H -1.497084 2.128973 2.261061
H -0.282520 3.037462 -1.285806
H -0.985237 1.593482 -2.031048
H 0.261547 0.407676 1.779778
H 0.999070 1.856790 2.536263
H 1.503942 1.342029 -1.644382
H 0.571342 0.097293 -0.762026
H 2.778224 0.014244 0.450594
H 3.022926 1.208774 1.754543
H 3.752292 2.930097 0.049055
H 3.501288 1.760083 -1.257098
H 5.928408 2.007071 -0.431495
H 5.446587 1.270567 1.100566
H -3.541875 -1.648434 1.093569
H -5.976150 1.078609 -1.261796
H -5.355861 -3.318197 1.038694
H -7.800099 -0.623500 -1.313550
H 7.834902 1.010357 0.197995
H 5.830300 -2.688848 -0.774197
H 9.922160 -0.238201 0.651168
H 7.936228 -3.943025 -0.300548
H 9.980832 -2.712867 0.412027
H -8.690834 -4.613776 0.107930
H -6.902265 -4.786408 -0.073240
H -7.600491 -4.088196 1.448222


%chk=000297092-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297092

0 1
O -2.646272 2.907137 -0.093120
O -1.755712 -0.568675 0.316986
O -4.963985 2.831702 -0.321570
O 4.597385 -0.725356 -1.296818
O -7.823250 -2.979867 -0.324443
N 1.395128 1.725944 0.424742
N -3.649740 0.842488 -0.026223
C -1.532503 1.909377 0.109960
C -0.816713 2.259244 1.432208
C -0.561104 2.027333 -1.084580
C 0.505137 1.476249 1.587628
C 0.751083 1.255518 -0.830382
C -2.272678 0.562970 0.153900
C 2.754701 1.157901 0.623183
C -3.881035 2.252328 -0.164110
C 3.805075 1.804830 -0.305586
C -4.704280 -0.142795 -0.074853
C 5.227900 1.272553 -0.044315
C -4.627241 -1.301140 0.730853
C -5.811062 0.042646 -0.943759
C 5.472120 -0.141505 -0.590490
C -5.646055 -2.275768 0.673788
C -6.830188 -0.920843 -0.993956
C 6.783241 -0.816669 -0.290898
C -6.753752 -2.085426 -0.188775
C 7.816008 -0.187651 0.456638
C 6.991277 -2.134604 -0.782715
C 9.029830 -0.863325 0.705830
C 8.201539 -2.809630 -0.531479
C 9.225049 -2.175119 0.214123
C -7.794906 -4.198658 0.488870
H -0.594609 3.341270 1.400571
H -1.481663 2.067799 2.294425
H -0.334455 3.101663 -1.208958
H -1.043706 1.666083 -2.011121
H 0.286581 0.388628 1.719578
H 1.015495 1.830324 2.502267
H 1.433716 1.440155 -1.676904
H 0.549162 0.157873 -0.797751
H 2.764551 0.050573 0.481907
H 3.044554 1.358882 1.674046
H 3.778454 2.899287 -0.149901
H 3.547415 1.609487 -1.362304
H 5.976624 1.943700 -0.514597
H 5.454973 1.287617 1.041469
H -3.768677 -1.455912 1.387765
H -5.885125 0.942370 -1.558523
H -5.562143 -3.166386 1.302847
H -7.694596 -0.792561 -1.651603
H 7.681007 0.828020 0.842734
H 6.185413 -2.601848 -1.358627
H 9.821594 -0.371047 1.280994
H 8.351828 -3.825519 -0.912718
H 10.167291 -2.699118 0.410019
H -8.713980 -4.741286 0.224173
H -6.911314 -4.821474 0.249098
H -7.800180 -3.960465 1.570276


