%chk=000203162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203162

0 1
O 4.146226 0.762540 0.824904
O -2.540549 1.190819 0.141314
O 2.572294 -2.916991 -0.234552
O 4.701637 -1.277738 0.032531
N -6.621347 0.063244 -0.260427
N -1.841476 -0.977358 -0.234774
C -7.701024 0.724721 0.536390
C -5.266040 0.641129 -0.035826
C -4.235504 -0.463653 -0.346126
C -8.993575 -0.074079 0.321116
C -7.910666 2.204025 0.173316
C -2.831682 0.043620 -0.114025
C 6.125336 1.548729 -0.349476
C 7.532572 2.133518 -0.183091
C 5.558910 1.085933 0.989723
C -0.437310 -0.816107 -0.084278
C 2.370816 -0.603411 0.181611
C 0.360425 -1.966360 -0.243162
C 0.157081 0.429381 0.209950
C 1.751302 -1.840501 -0.105280
C 1.535012 0.521429 0.339655
C 8.110361 2.590378 -1.520425
C 3.829284 -0.487412 0.304895
H -7.405932 0.654391 1.617316
H -5.152933 0.963049 1.023907
H -5.054433 1.539120 -0.656886
H -6.849966 0.079966 -1.258940
H -4.463524 -1.350938 0.285264
H -4.354890 -0.811973 -1.393360
H -9.783627 0.268658 0.997217
H -8.829757 -1.142559 0.514978
H -9.373256 0.015964 -0.701795
H -8.729630 2.639730 0.756637
H -7.017851 2.804405 0.376039
H -8.165412 2.337327 -0.882840
H 5.445723 2.294811 -0.805716
H 6.144795 0.693065 -1.056904
H 7.507951 2.986442 0.523465
H 8.202534 1.376959 0.272533
H 5.507676 1.889695 1.745187
H 6.086234 0.202832 1.391801
H -2.157263 -1.928788 -0.445358
H -0.077465 -2.931334 -0.465558
H -0.466359 1.321302 0.336976
H 1.999782 1.488687 0.570247
H 7.490367 3.365319 -1.985529
H 9.117186 3.004513 -1.396370
H 8.182861 1.759491 -2.232448
H 2.078907 -3.754288 -0.439123


%chk=000203162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203162

0 1
O 4.239935 0.802489 0.819099
O -2.640759 1.327157 0.357814
O 2.509029 -2.932941 -0.393819
O 4.726868 -1.329639 0.001366
N -6.713626 -0.012325 -0.093950
N -1.869336 -0.835265 -0.147284
C -7.877451 0.707173 0.492316
C -5.385506 0.603159 0.118801
C -4.284378 -0.414865 -0.231475
C -9.134300 -0.171354 0.328830
C -8.109590 2.129856 -0.089864
C -2.873911 0.130511 0.025443
C 6.266027 1.637273 -0.373938
C 7.765894 1.992573 -0.240657
C 5.702085 1.059042 0.931760
C -0.463347 -0.693969 -0.017251
C 2.392990 -0.571907 0.198397
C 0.331048 -1.842616 -0.261845
C 0.168639 0.528207 0.342094
C 1.739710 -1.791659 -0.158611
C 1.568111 0.560702 0.442341
C 8.344119 2.595368 -1.539208
C 3.873026 -0.463238 0.305002
H -7.662820 0.809478 1.576001
H -5.299246 0.875278 1.187137
H -5.209434 1.539978 -0.456171
H -6.881023 -0.226366 -1.089396
H -4.457875 -1.336977 0.357622
H -4.368396 -0.704069 -1.300734
H -10.012102 0.301107 0.805201
H -8.971161 -1.163132 0.784492
H -9.373332 -0.319096 -0.743171
H -8.947032 2.635347 0.426581
H -7.211986 2.764758 0.022479
H -8.359822 2.072438 -1.167427
H 5.690945 2.542603 -0.650607
H 6.129632 0.897932 -1.185643
H 7.904262 2.710390 0.593861
H 8.336991 1.081593 0.030099
H 5.781631 1.780434 1.762859
H 6.211309 0.114388 1.196000
H -2.198094 -1.769773 -0.404013
H -0.151180 -2.792247 -0.536077
H -0.436715 1.414160 0.532630
H 2.065583 1.493015 0.719332
H 7.809505 3.522922 -1.817726
H 9.415702 2.842356 -1.426775
H 8.246400 1.885460 -2.381648
H 1.926783 -3.704008 -0.615565


