%chk=000215915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215915

0 1
O -0.195253 2.157051 1.628448
O 5.630441 -0.182523 -0.778092
N -0.576503 0.627159 -0.019941
N -2.586323 2.355996 -1.009848
C 0.157636 -0.453303 0.695210
C -0.488175 -1.824949 0.406657
C 1.621492 -0.391097 0.295812
C -1.436894 2.955545 -0.268511
C -1.874189 -1.934339 0.979578
C -0.705199 1.885034 0.546340
C -3.856658 2.416735 -0.209670
C -2.755611 3.014143 -2.350715
C 2.159522 -1.161693 -0.747502
C 2.449958 0.506011 0.987503
C -2.058697 -2.023627 2.368690
C -2.990587 -1.960459 0.130289
C 3.507110 -1.068234 -1.078764
C 3.806274 0.621369 0.676016
C 4.323421 -0.174360 -0.355441
C -3.743571 1.602250 1.075769
C -3.604270 2.128395 -3.263582
C -3.345862 -2.137746 2.898478
C -4.276445 -2.078572 0.666315
C -4.457528 -2.167362 2.049522
C 6.580547 0.705712 -0.105151
C 7.885289 0.420931 -0.822708
H 0.079219 -0.244455 1.804389
H -0.496445 -2.029241 -0.683362
H 0.159157 -2.618299 0.841606
H -1.066816 0.391769 -0.880404
H -0.694088 3.404976 -0.966047
H -1.730398 3.771743 0.431306
H -4.158663 3.460494 0.027581
H -4.663215 1.984925 -0.845825
H -3.203613 4.028838 -2.278116
H -1.747667 3.141975 -2.806474
H 1.522599 -1.842356 -1.312265
H 2.019566 1.138313 1.774022
H -1.198559 -2.000634 3.035457
H -2.861003 -1.884100 -0.946937
H 3.942498 -1.661323 -1.878420
H 4.426371 1.319438 1.226451
H -3.362398 0.588313 0.879212
H -3.064415 2.060230 1.805878
H -4.719959 1.494883 1.559410
H -3.225806 1.097569 -3.275989
H -4.649455 2.081350 -2.936708
H -3.592315 2.502644 -4.292790
H -3.483556 -2.203786 3.976717
H -5.138921 -2.099705 0.002341
H -5.458351 -2.259290 2.464823
H 6.237155 1.746056 -0.236447
H 6.611785 0.436205 0.964357
H 8.704267 1.026526 -0.419410
H 7.801626 0.630449 -1.898471
H 8.165774 -0.638071 -0.732888


%chk=000215915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215915

0 1
O -1.021477 1.864218 2.600033
O 4.989513 0.101598 -1.680402
N -0.987060 0.585394 0.635323
N -2.292006 2.439833 -0.822627
C -0.047204 -0.448257 1.110928
C -0.659229 -1.867965 0.993371
C 1.303111 -0.332781 0.392537
C -2.336150 2.612926 0.652313
C -1.968087 -2.101657 1.745588
C -1.370776 1.663836 1.392225
C -3.605312 2.688925 -1.485156
C -1.164873 3.216187 -1.425138
C 1.470098 -0.731079 -0.962214
C 2.414135 0.231647 1.059675
C -2.344639 -1.349969 2.889222
C -2.822782 -3.152492 1.320430
C 2.702023 -0.574541 -1.621367
C 3.662492 0.395874 0.416585
C 3.806519 -0.009971 -0.933319
C -4.614157 1.547242 -1.261026
C -0.717353 2.678111 -2.796171
C -3.535778 -1.652066 3.588520
C -4.012623 -3.457220 2.017681
C -4.373856 -2.706601 3.160438
C 6.171212 0.682427 -1.012368
C 7.302620 0.683326 -2.036636
H 0.119214 -0.214262 2.178520
H -0.809996 -2.122523 -0.074565
H 0.106350 -2.580151 1.364573
H -1.349386 0.601673 -0.331504
H -2.100563 3.649187 0.981197
H -3.352341 2.384827 1.022531
H -4.045083 3.659406 -1.147913
H -3.419131 2.788059 -2.569428
H -1.427780 4.299550 -1.505229
H -0.311364 3.147745 -0.725274
H 0.631423 -1.172491 -1.515094
H 2.302009 0.559534 2.100125
H -1.726373 -0.514623 3.237902
H -2.550456 -3.740314 0.433794
H 2.836920 -0.880957 -2.663394
H 4.497736 0.835401 0.969515
H -4.213055 0.596895 -1.654571
H -4.845276 1.397763 -0.190950
H -5.565356 1.769705 -1.779155
H -0.384105 1.628785 -2.707799
H -1.524327 2.722822 -3.549482
H 0.129606 3.276750 -3.178704
H -3.808666 -1.057828 4.468209
H -4.655012 -4.274880 1.670587
H -5.295830 -2.938009 3.705868
H 5.934036 1.711899 -0.672799
H 6.431626 0.069146 -0.124948
H 8.219193 1.109525 -1.589662
H 7.029364 1.287565 -2.918471
H 7.522566 -0.343639 -2.374621


