%chk=000213594.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213594

0 1
O 0.078523 1.601387 0.468055
O -2.090101 2.095354 -0.909283
O 4.315954 -0.724295 -0.255955
O 0.670095 -1.202014 2.908528
O 1.330064 0.844292 -1.274887
O 4.455150 1.530431 -0.238616
N 1.666079 -1.290988 0.853559
C -2.925420 -1.312369 0.326921
C -0.675217 -0.660548 0.986114
C -1.719359 -1.599829 0.974266
C -0.854703 0.568832 0.359325
C -2.073628 0.859059 -0.316267
C -3.104997 -0.079668 -0.327229
C -4.049035 -2.313230 0.337169
C 0.592947 -1.037931 1.703296
C 2.957887 -1.773324 1.384267
C 4.077557 -0.748397 1.186426
C -4.482153 -2.694964 -1.049727
C 1.101088 1.718491 -0.471712
C -3.295233 2.478024 -1.620999
C -5.751679 -2.904919 -1.389992
C 1.782698 3.011098 -0.236454
C 4.402672 0.501031 -0.876895
C 4.397296 0.306858 -2.348247
H -1.579996 -2.552243 1.487184
H -4.045967 0.122371 -0.833229
H -4.897954 -1.897618 0.925860
H -3.756471 -3.239406 0.882669
H 2.853504 -2.009392 2.474157
H 3.221180 -2.723323 0.860588
H 1.639636 -1.051379 -0.141907
H 3.819252 0.264309 1.549473
H 5.032101 -1.075676 1.632658
H -3.665784 -2.805202 -1.767136
H -3.028043 3.482162 -1.976866
H -4.145305 2.519280 -0.933912
H -3.474756 1.798117 -2.458638
H -6.054733 -3.200382 -2.384288
H -6.585440 -2.805658 -0.710773
H 1.699020 3.669743 -1.114543
H 2.869741 2.856969 -0.052200
H 1.376819 3.556356 0.632412
H 4.715740 -0.703828 -2.646581
H 5.038970 1.041186 -2.855980
H 3.363400 0.444230 -2.728210


%chk=000213594-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213594

0 1
O 0.105855 1.483398 0.563171
O -2.053238 1.987601 -0.923254
O 4.342264 -0.692218 -0.301818
O 0.545698 -1.797429 2.885478
O 1.395525 0.883945 -1.285834
O 4.706600 1.613837 -0.374258
N 1.765438 -1.134055 1.011490
C -2.937480 -1.471655 0.282309
C -0.664720 -0.842203 1.000865
C -1.739371 -1.768330 0.962916
C -0.826989 0.411117 0.380224
C -2.022464 0.723302 -0.327178
C -3.066661 -0.223922 -0.379825
C -4.100952 -2.465314 0.279294
C 0.591653 -1.272228 1.728736
C 3.050656 -1.599753 1.547342
C 4.193010 -0.652229 1.185309
C -4.759743 -2.637333 -1.077301
C 1.097990 1.727015 -0.407021
C -3.269244 2.358137 -1.655182
C -6.078443 -2.442173 -1.330835
C 1.726982 3.078955 -0.202438
C 4.566415 0.520443 -0.970489
C 4.554520 0.310757 -2.464832
H -1.615307 -2.722298 1.485488
H -3.992517 -0.006955 -0.921708
H -4.866481 -2.140096 1.012010
H -3.725748 -3.446345 0.632238
H 2.947099 -1.669857 2.645065
H 3.282724 -2.616261 1.171480
H 1.729878 -0.805185 0.038524
H 4.000272 0.387366 1.500812
H 5.146330 -1.002794 1.618342
H -4.092263 -2.950686 -1.894611
H -3.078041 3.374545 -2.028355
H -4.151380 2.363660 -0.986803
H -3.448430 1.673236 -2.505858
H -6.501732 -2.601749 -2.328878
H -6.774518 -2.128548 -0.542255
H 1.358209 3.761139 -0.990453
H 2.822055 2.998468 -0.301824
H 1.453053 3.494481 0.777669
H 4.924570 -0.690738 -2.732025
H 5.153750 1.091388 -2.957254
H 3.506577 0.400559 -2.806075


