%chk=000290181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290181

0 1
O -1.933816 3.233748 -0.340100
O 2.138733 2.497294 1.094927
O -4.786847 2.957576 -0.256993
O 3.912103 3.201766 -1.050723
N -1.754007 -2.680860 0.034901
N 1.135610 -2.477210 0.138950
C -2.386205 -0.386940 0.395211
C 2.425615 -0.691866 -0.806181
C -0.908569 -3.820053 0.213095
C 0.512553 -3.762783 0.147826
C -2.477589 1.983274 -0.097586
C 2.519313 1.522529 0.182648
C -1.729944 0.834592 0.146702
C 2.057127 0.208282 0.209808
C -3.901079 1.921626 -0.079003
C 3.388198 1.949177 -0.857539
C -3.780945 -0.455794 0.390283
C 3.282429 -0.269056 -1.834384
C -4.538307 0.697872 0.163597
C 3.763991 1.039164 -1.859725
C -1.543295 -1.574203 0.673126
C 1.883504 -2.069778 -0.836776
C -1.537677 -5.071385 0.333303
C 1.264412 -4.947148 0.199824
C -0.775888 -6.239156 0.402195
C 0.619486 -6.178167 0.336039
C -0.531374 3.285225 -0.706668
C 1.656249 2.035246 2.382816
C -4.256060 4.254789 -0.628153
C 3.752121 4.182125 0.007056
H -0.641916 0.866484 0.128486
H 1.402899 -0.138371 1.013154
H -4.280955 -1.410884 0.554840
H 3.579481 -0.959654 -2.623867
H -5.627519 0.661861 0.162989
H 4.434535 1.377344 -2.650260
H -0.753243 -1.398971 1.426748
H 2.143806 -2.654930 -1.735486
H -2.627342 -5.118414 0.367693
H 2.350928 -4.901476 0.153530
H -1.273904 -7.202341 0.503857
H 1.207337 -7.093180 0.388095
H -0.410022 4.341574 -0.973425
H 0.098419 3.023206 0.152514
H -0.331557 2.637615 -1.565073
H 1.575892 2.975901 2.942064
H 0.675193 1.563078 2.269700
H 2.379911 1.359771 2.847600
H -3.600855 4.632056 0.165154
H -5.169549 4.852727 -0.719407
H -3.719206 4.184262 -1.579066
H 4.194300 3.812187 0.936620
H 2.690014 4.415173 0.143074
H 4.307710 5.036794 -0.396110


%chk=000290181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290181

0 1
O -2.153897 3.353005 -0.798003
O 1.947694 2.543862 0.990418
O -4.375924 3.254662 1.016820
O 4.233521 3.164929 -0.638313
N -1.822657 -2.705897 0.304536
N 1.046823 -2.466512 -0.022865
C -2.325041 -0.330157 0.031094
C 2.701662 -0.795287 -0.596016
C -0.984488 -3.824380 0.164501
C 0.453961 -3.739599 -0.003009
C -2.562201 2.107227 -0.288499
C 2.557717 1.512838 0.253917
C -1.916838 0.887568 -0.582637
C 2.083955 0.189208 0.226304
C -3.679842 2.110580 0.609088
C 3.703159 1.873824 -0.535791
C -3.406939 -0.312470 0.950861
C 3.821061 -0.429691 -1.388648
C -4.074346 0.894330 1.219904
C 4.311263 0.889401 -1.348854
C -1.576861 -1.555606 -0.281513
C 2.145012 -2.152143 -0.668191
C -1.581694 -5.111304 0.281861
C 1.217051 -4.944557 -0.020901
C -0.812925 -6.286662 0.216133
C 0.596871 -6.203148 0.073207
C -0.956241 3.383165 -1.648201
C 0.860352 2.169410 1.909891
C -4.774297 4.257205 0.004979
C 4.415537 3.976661 0.585240
H -1.065795 0.867220 -1.272544
H 1.215635 -0.124187 0.813208
H -3.706157 -1.250680 1.426846
H 4.305476 -1.175056 -2.030212
H -4.921459 0.937011 1.911701
H 5.177034 1.195938 -1.943670
H -0.791918 -1.450855 -1.052428
H 2.663041 -2.863198 -1.345137
H -2.665727 -5.149970 0.428572
H 2.310137 -4.875364 -0.078042
H -1.299864 -7.264113 0.301283
H 1.204094 -7.114933 0.056678
H -0.819218 4.443189 -1.907425
H -0.065854 3.017535 -1.102027
H -1.102874 2.789798 -2.570995
H 0.575458 3.106551 2.409866
H -0.009120 1.761055 1.362501
H 1.210688 1.430825 2.655153
H -3.892580 4.722079 -0.462089
H -5.361149 4.999093 0.567454
H -5.407665 3.785997 -0.770740
H 5.049968 3.435413 1.312602
H 3.446942 4.224194 1.045352
H 4.933656 4.883694 0.238680


