%chk=000299434.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299434

0 1
O -0.478672 1.287082 -0.908639
O -3.702112 -1.355454 0.182278
O 0.382698 2.475746 0.839770
N 0.594081 -0.595769 0.216741
N 1.674667 -0.076243 -0.099110
C -1.584675 -0.875800 -1.100437
C -1.770804 0.086413 0.939371
C -0.662563 0.049570 -0.194532
C -2.633567 -0.846814 0.046418
C -1.047707 -2.268607 -1.364804
C -2.081383 -0.198636 -2.363291
C -2.426851 1.439353 1.134746
C -1.372439 -0.553672 2.254069
C 0.151727 2.381718 -0.338715
C 2.960015 -0.737709 0.341554
C 0.412714 3.364883 -1.427862
C 2.788795 -2.145972 0.928059
C 3.829800 -0.789376 -0.926271
C 3.559978 0.214234 1.389612
H -1.822108 -2.907672 -1.810234
H -0.197317 -2.243203 -2.057673
H -0.702621 -2.764390 -0.446970
H -1.269974 -0.093111 -3.095612
H -2.890222 -0.774172 -2.830255
H -2.457144 0.814571 -2.165893
H -2.671485 1.926004 0.183145
H -3.356471 1.346600 1.711174
H -1.759839 2.119017 1.689688
H -2.238042 -0.660660 2.920191
H -0.932335 -1.550329 2.118403
H -0.623051 0.060177 2.774247
H -0.172527 3.152474 -2.336232
H 1.476945 3.335149 -1.715406
H 0.186791 4.389426 -1.097667
H 2.323718 -2.830766 0.209982
H 3.752538 -2.573804 1.220551
H 2.146626 -2.137040 1.817855
H 3.933172 0.202706 -1.383791
H 3.401710 -1.453076 -1.685554
H 4.835746 -1.153666 -0.693685
H 2.938670 0.266310 2.292295
H 4.560019 -0.112722 1.690432
H 3.644703 1.239334 1.005352


%chk=000299434-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299434

0 1
O -0.434466 1.333532 -0.955461
O -3.385867 -1.869698 0.419348
O 0.331854 2.426850 0.974954
N 0.565926 -0.616871 0.191378
N 1.664289 -0.028176 -0.110077
C -1.569908 -0.926745 -1.122571
C -1.774028 0.059736 0.928230
C -0.671264 0.069230 -0.241811
C -2.468282 -1.078305 0.134312
C -0.908323 -2.233599 -1.604421
C -2.297219 -0.230575 -2.298000
C -2.663529 1.327970 0.970288
C -1.297548 -0.305043 2.346351
C 0.214698 2.380203 -0.267715
C 2.924278 -0.743769 0.343371
C 0.692518 3.417266 -1.255855
C 2.681933 -2.108129 1.019035
C 3.772704 -0.892395 -0.946172
C 3.603054 0.255283 1.318619
H -1.682301 -2.889627 -2.040610
H -0.152889 -2.018260 -2.382401
H -0.416559 -2.773510 -0.779545
H -1.578054 -0.009148 -3.105494
H -3.076076 -0.909959 -2.688259
H -2.774526 0.717831 -2.004799
H -2.983970 1.662360 -0.030698
H -3.567330 1.105088 1.565069
H -2.111714 2.149954 1.455290
H -2.175799 -0.447105 3.001266
H -0.701263 -1.231564 2.351367
H -0.678921 0.516554 2.748107
H -0.086488 3.632907 -2.005891
H 1.570459 3.017207 -1.793899
H 0.978227 4.337881 -0.726493
H 2.175190 -2.811458 0.335085
H 3.651606 -2.545699 1.318056
H 2.050695 -2.002388 1.917966
H 3.888921 0.083441 -1.449249
H 3.296442 -1.594646 -1.653960
H 4.775371 -1.279964 -0.691943
H 3.004994 0.372635 2.239069
H 4.607023 -0.115725 1.592788
H 3.707344 1.248534 0.848673


