%chk=000299428.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299428

0 1
O 0.927609 -0.550850 -1.190421
O -3.705648 0.100121 0.709489
N -0.397188 3.420314 0.300830
N 2.804100 -0.073907 0.028376
N -1.956747 -0.894286 -0.383179
C -0.151389 2.032463 -0.193422
C -1.121968 1.726359 -1.357216
C 1.317868 1.766187 -0.633051
C -2.544296 1.475985 -0.861583
C 3.305510 -1.492912 0.135936
C -2.090952 -2.241462 0.270151
C 1.632499 0.283636 -0.632853
C -2.784371 0.183300 -0.095415
C 0.042977 4.485752 -0.643590
C 0.183238 3.642511 1.656633
C 4.645904 -1.443325 0.892507
C 2.280645 -2.324346 0.918938
C 3.508552 -2.063320 -1.274514
C -1.029903 -3.156656 -0.368151
C -1.838541 -2.097481 1.781385
C -3.500939 -2.794513 0.012104
H -0.389303 1.338194 0.659210
H -1.133406 2.568134 -2.079238
H -0.746378 0.847891 -1.928482
H 1.483554 2.156614 -1.658639
H 2.005119 2.344217 0.011982
H -2.859906 2.318821 -0.199986
H -3.255368 1.496667 -1.713379
H 3.360622 0.637491 0.493132
H -1.135774 -0.765300 -0.992472
H -0.372930 4.282502 -1.645176
H 1.131203 4.607341 -0.735935
H -0.384357 5.445668 -0.307372
H -0.243659 2.904041 2.356164
H -0.128767 4.636555 2.018433
H 1.279344 3.585136 1.711268
H 5.396646 -0.843107 0.367615
H 4.536848 -1.045193 1.906804
H 5.063836 -2.452857 0.993751
H 1.307962 -2.355747 0.383990
H 2.085448 -1.913070 1.913552
H 2.614179 -3.358374 1.043870
H 2.558902 -2.068778 -1.835009
H 4.222795 -1.475404 -1.858506
H 3.871692 -3.094555 -1.240289
H -1.220597 -3.318846 -1.434526
H -0.013976 -2.725270 -0.283911
H -1.016755 -4.136733 0.116392
H -2.572249 -1.404545 2.224911
H -0.842801 -1.700121 1.992587
H -1.940393 -3.055206 2.297138
H -4.262731 -2.126386 0.448619
H -3.718953 -2.871882 -1.056932
H -3.631811 -3.782767 0.458481


%chk=000299428-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299428

0 1
O 0.931044 -0.757038 -0.048790
O -4.199326 0.133889 -0.476457
N -0.478902 3.261811 0.440173
N 3.156911 -0.096011 -0.213594
N -2.089188 -0.823346 -0.175170
C -0.098933 1.897724 -0.012776
C -0.771871 1.547960 -1.367224
C 1.442573 1.660905 -0.065713
C -2.306041 1.428452 -1.267795
C 3.796305 -1.454437 -0.269359
C -2.568279 -2.097871 0.455884
C 1.809860 0.167771 -0.111580
C -2.928654 0.187183 -0.595768
C 0.103499 4.390908 -0.304752
C -0.423212 3.457513 1.898882
C 5.321961 -1.213721 -0.369460
C 3.464643 -2.245306 1.022818
C 3.292109 -2.218387 -1.521143
C -1.315167 -2.958235 0.747559
C -3.314855 -1.785362 1.780790
C -3.505774 -2.854470 -0.522878
H -0.502737 1.204732 0.749661
H -0.527975 2.339037 -2.104289
H -0.333249 0.615187 -1.767155
H 1.877598 2.173598 -0.947180
H 1.915773 2.109527 0.832343
H -2.699215 2.307324 -0.722934
H -2.759363 1.467780 -2.277228
H 3.787128 0.708871 -0.256204
H -1.066027 -0.712511 -0.244487
H -0.036200 4.253096 -1.390690
H 1.195721 4.549360 -0.113615
H -0.418932 5.322360 -0.019026
H -0.972923 2.644619 2.405188
H -0.913695 4.413114 2.161315
H 0.614706 3.490667 2.322088
H 5.579865 -0.643401 -1.282142
H 5.701329 -0.665837 0.514015
H 5.850517 -2.180955 -0.417109
H 2.376639 -2.394223 1.114329
H 3.826128 -1.705015 1.916607
H 3.955814 -3.234751 0.991813
H 2.198218 -2.344272 -1.478372
H 3.551786 -1.671335 -2.445639
H 3.760738 -3.218227 -1.564771
H -0.768369 -3.194505 -0.183594
H -0.618196 -2.434051 1.425768
H -1.623102 -3.906530 1.222471
H -4.183333 -1.137134 1.580439
H -2.642143 -1.272587 2.493199
H -3.667086 -2.723983 2.247768
H -4.386854 -2.236758 -0.759624
H -2.973138 -3.092160 -1.462123
H -3.843125 -3.802267 -0.063467


