%chk=000246329.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246329

0 1
O -2.496315 0.905239 0.586749
O 0.572557 -2.219173 -0.476689
O -2.765545 -0.909637 -0.740796
O -0.069806 -1.614126 1.607061
O -0.389341 2.186907 -2.080960
N 1.560764 1.011531 0.599385
N -0.142536 -0.067736 -1.696940
C 2.242434 2.186020 -0.037885
C 2.041444 0.801540 2.005898
C 3.758708 1.936316 -0.082102
C 3.556004 0.536407 1.995615
C 0.078167 1.140664 0.540001
C 4.316339 1.687969 1.325397
C -0.483602 -0.070796 -0.265310
C -2.041678 -0.115108 -0.194584
C 0.016917 -1.361999 0.430210
C -0.086502 1.082819 -2.497581
C -3.946568 1.039781 0.773341
C 1.074401 -3.509965 0.011972
C 0.345680 0.814640 -3.912659
C -4.429718 0.011152 1.771806
C -0.087209 -4.451880 0.236297
H 1.843535 2.298375 -1.070790
H 2.030373 3.139853 0.491884
H 1.811968 1.662712 2.668865
H 1.508441 -0.084760 2.422057
H -0.405066 1.139534 1.544503
H -0.267085 2.081707 0.042078
H 3.968689 1.059056 -0.725480
H 4.262870 2.799617 -0.552423
H 3.912133 0.386931 3.030858
H 3.759284 -0.408380 1.453456
H 5.395005 1.452851 1.272448
H 4.230820 2.606699 1.935862
H 0.156912 -0.972078 -2.076583
H -4.003789 2.078929 1.146527
H -4.434870 0.946333 -0.212582
H 1.726006 -3.803522 -0.831049
H 1.666431 -3.328230 0.926451
H 1.364841 0.409869 -3.969759
H 0.336594 1.754710 -4.489170
H -0.325934 0.116141 -4.430837
H -5.469877 0.193661 2.066011
H -3.817738 0.014483 2.683974
H -4.377397 -1.006112 1.354440
H -0.761768 -4.477748 -0.630684
H -0.693413 -4.141020 1.101393
H 0.254640 -5.476279 0.425025


%chk=000246329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246329

0 1
O -2.510156 0.834200 0.770118
O 0.585087 -2.118572 -0.474044
O -2.683559 -0.574631 -1.078639
O -0.148873 -1.461581 1.637721
O -1.169937 2.022124 -2.174695
N 1.643417 1.082756 0.724080
N 0.034424 0.112012 -1.657168
C 2.442381 1.983496 -0.145492
C 2.119917 1.101195 2.132012
C 3.933570 1.589493 -0.129485
C 3.602273 0.682303 2.213748
C 0.178340 1.256555 0.585469
C 4.481756 1.582929 1.316013
C -0.428650 0.093118 -0.263380
C -1.995906 0.083382 -0.269000
C 0.011245 -1.223773 0.422351
C -0.403441 1.075984 -2.543227
C -4.004399 0.865326 0.888738
C 1.023107 -3.439521 0.084221
C 0.077475 0.923837 -3.980430
C -4.507649 -0.344180 1.680156
C -0.148886 -4.422454 0.117616
H 2.042251 1.924705 -1.172432
H 2.343327 3.050152 0.188318
H 2.005357 2.121030 2.585304
H 1.494779 0.402502 2.716056
H -0.306977 1.232719 1.574123
H -0.099052 2.209733 0.096417
H 4.039801 0.578488 -0.569612
H 4.506830 2.294603 -0.762152
H 3.939344 0.730603 3.267274
H 3.691635 -0.370523 1.880639
H 5.533530 1.239200 1.331855
H 4.473674 2.618704 1.715293
H 0.575982 -0.695866 -1.970245
H -4.196606 1.816098 1.410355
H -4.429850 0.894748 -0.129262
H 1.819987 -3.758404 -0.606167
H 1.437092 -3.263343 1.092239
H 0.878798 0.173783 -4.095503
H 0.437982 1.899133 -4.347441
H -0.777718 0.628018 -4.613791
H -5.598620 -0.255052 1.838263
H -4.017232 -0.400665 2.666988
H -4.314239 -1.280240 1.130476
H -0.596161 -4.539342 -0.884100
H -0.927580 -4.078459 0.818091
H 0.208328 -5.412429 0.457033


