%chk=000216866.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216866

0 1
O 0.073378 -2.398834 0.356252
O -0.351602 -1.538709 -1.686295
N -1.377273 2.223915 -0.026496
C -0.457259 -0.059295 0.292454
C -1.478306 0.818838 -0.519972
C -1.031137 -0.368035 1.690387
C -2.377834 -1.100531 1.611310
C 0.906683 0.623096 0.328002
C -2.886743 0.279866 -0.405301
C -0.261678 -1.371639 -0.491050
C -3.288993 -0.554623 0.555772
C 1.631979 0.755128 -0.870775
C 1.453335 1.132411 1.513048
C -1.940157 3.213479 -0.985247
C 2.883270 1.372060 -0.876385
C 2.709081 1.750351 1.502924
C 3.428748 1.869510 0.312352
C 0.401984 -3.695875 -0.238366
C 1.812978 -3.661158 -0.787048
H -1.162744 0.791355 -1.600632
H -1.151101 0.579164 2.251675
H -0.308025 -0.987933 2.260290
H -2.875196 -1.067853 2.601492
H -2.197061 -2.180196 1.402224
H -3.568780 0.640077 -1.173463
H -4.318435 -0.910444 0.608888
H -1.855289 2.311078 0.876962
H 1.214674 0.379040 -1.807168
H 0.908525 1.068494 2.452417
H -3.011824 3.095936 -1.201955
H -1.386629 3.162450 -1.937953
H -1.776107 4.223847 -0.573964
H 3.434455 1.468952 -1.810149
H 3.122492 2.142895 2.430171
H 4.404188 2.349927 0.306987
H 0.290121 -4.359488 0.637716
H -0.350459 -3.929831 -1.012382
H 2.155545 -4.658809 -1.083235
H 1.878127 -3.010751 -1.672524
H 2.522068 -3.266065 -0.047363


%chk=000216866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216866

0 1
O 0.046532 -2.464644 0.352215
O -0.462740 -1.546730 -1.721713
N -1.732970 2.140184 0.065489
C -0.553940 -0.100874 0.302231
C -1.652341 0.758444 -0.460812
C -1.075067 -0.349178 1.741716
C -2.388460 -1.163929 1.759329
C 0.805372 0.641613 0.266328
C -3.017639 0.096924 -0.344869
C -0.349318 -1.414112 -0.478194
C -3.354893 -0.743177 0.670150
C 1.516194 0.765686 -0.959214
C 1.351199 1.257298 1.420058
C -1.225998 3.239294 -0.773875
C 2.733362 1.476947 -1.025994
C 2.569147 1.972261 1.355055
C 3.267851 2.086444 0.132846
C 0.404741 -3.750530 -0.326522
C 1.866523 -3.727168 -0.781340
H -1.360532 0.784774 -1.530323
H -1.261984 0.649937 2.180094
H -0.311241 -0.859109 2.353409
H -2.875407 -1.062443 2.750252
H -2.162583 -2.243541 1.644529
H -3.754751 0.363090 -1.113882
H -4.368294 -1.167874 0.707429
H -2.633816 2.333906 0.512369
H 1.115821 0.299227 -1.866909
H 0.828907 1.190549 2.377702
H -1.731540 3.324442 -1.765424
H -0.145760 3.107320 -0.955987
H -1.357513 4.196921 -0.238469
H 3.263316 1.555291 -1.982316
H 2.969288 2.442213 2.261024
H 4.212434 2.639915 0.083432
H 0.223790 -4.511858 0.449397
H -0.281251 -3.899872 -1.178650
H 2.140653 -4.709911 -1.208458
H 2.022538 -2.958278 -1.556328
H 2.539367 -3.517649 0.067828


