%chk=000241952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241952

0 1
O 1.706236 -0.024311 0.997373
O -0.596998 -1.801749 2.017001
O 3.323095 1.491778 0.466581
N 2.137870 -2.886778 -1.006456
C 1.151925 -0.195953 -0.354227
C 0.272914 -1.468036 -0.193654
C 2.274191 -0.447364 -1.372836
C 1.151206 -2.703505 0.105705
C 3.075406 -1.716394 -1.058732
C 0.317231 1.028311 -0.699287
C -0.779301 -1.339387 0.910539
C 2.898322 -4.158425 -0.819571
C -0.036851 1.287524 -2.031626
C -0.128275 1.892942 0.310406
C -2.070959 -0.662540 0.573679
C 2.748557 0.823590 1.290219
C -0.814744 2.403947 -2.349341
C -0.904456 3.010190 -0.009297
C -2.555842 -0.577577 -0.738667
C -2.825340 -0.123874 1.628988
C -1.248250 3.268800 -1.339547
C 2.996835 0.734142 2.758162
C -3.779445 0.046343 -0.994672
C -4.045225 0.505300 1.370633
C -4.522328 0.590780 0.058501
H -0.237885 -1.631471 -1.180416
H 2.955918 0.432109 -1.406784
H 1.837229 -0.534074 -2.389648
H 1.623218 -2.577776 1.107622
H 0.508375 -3.607991 0.162775
H 3.813872 -1.896884 -1.869591
H 3.651680 -1.577402 -0.118108
H 3.583728 -4.294412 -1.671659
H 2.192130 -5.004564 -0.838839
H 3.483361 -4.218181 0.109999
H 0.297981 0.622432 -2.827952
H 0.126897 1.687285 1.350935
H -1.080725 2.601406 -3.386278
H -1.243202 3.678199 0.780842
H -1.977273 -0.996401 -1.564534
H -2.449714 -0.209137 2.652009
H -1.851511 4.139740 -1.588348
H 4.031029 0.417307 2.960738
H 2.320608 0.016000 3.254075
H 2.855730 1.714936 3.237346
H -4.152685 0.111381 -2.015119
H -4.625108 0.924934 2.190794
H -5.474223 1.080511 -0.143731


%chk=000241952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241952

0 1
O 1.944767 0.042348 0.957282
O -0.510449 -1.176380 2.185732
O 3.446889 1.680486 0.197985
N 1.962433 -2.956185 -0.831990
C 1.248072 -0.109201 -0.374452
C 0.237938 -1.294648 -0.125037
C 2.264379 -0.576370 -1.447296
C 1.007176 -2.595212 0.237088
C 2.963336 -1.888036 -1.050548
C 0.527153 1.203496 -0.716336
C -0.818474 -1.033250 0.963055
C 2.575983 -4.279438 -0.612391
C 0.370637 1.641521 -2.054535
C -0.049411 1.980137 0.322552
C -2.235436 -0.696208 0.583271
C 2.988648 0.961090 1.113487
C -0.344351 2.825157 -2.348269
C -0.758656 3.163069 0.031452
C -2.636224 -0.361904 -0.738463
C -3.215296 -0.709706 1.615734
C -0.912882 3.591561 -1.307183
C 3.471914 0.950100 2.550027
C -3.983269 -0.047669 -1.018479
C -4.559937 -0.402783 1.334869
C -4.949072 -0.070199 0.013921
H -0.255910 -1.461727 -1.098650
H 3.003867 0.221680 -1.624708
H 1.714885 -0.765398 -2.387527
H 1.496724 -2.446551 1.227001
H 0.278489 -3.420564 0.345791
H 3.636342 -2.200135 -1.870686
H 3.598711 -1.724751 -0.143201
H 3.224966 -4.534322 -1.469517
H 1.786519 -5.048915 -0.540462
H 3.194736 -4.332799 0.318555
H 0.817964 1.077368 -2.878766
H 0.063650 1.656344 1.362970
H -0.447552 3.151106 -3.389532
H -1.194062 3.748404 0.848942
H -1.902005 -0.316533 -1.548407
H -2.888238 -0.964116 2.629409
H -1.464020 4.510908 -1.534249
H 4.547840 0.704184 2.574385
H 2.906126 0.227824 3.155545
H 3.359277 1.962443 2.976317
H -4.278368 0.219751 -2.038890
H -5.305634 -0.421602 2.137321
H -5.994972 0.171322 -0.207116


