%chk=000216403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216403

0 1
O 2.262139 -0.990333 0.062632
O -2.259138 -1.003765 0.069430
O 3.647684 0.615761 0.840759
O -3.651990 0.594581 0.850475
N -0.007304 2.800788 1.742351
C -0.002291 0.365312 0.231920
C -0.004808 0.480549 -1.311686
C 1.257062 0.980436 0.813624
C -1.263588 0.973064 0.817151
C 1.232097 2.169435 1.476760
C -1.243732 2.162193 1.480219
C -0.009886 1.923719 -1.825368
C 2.509942 0.245663 0.596029
C -2.512750 0.230975 0.603007
C 3.361760 -1.941009 -0.256809
C -3.354047 -1.960837 -0.247088
C 2.407156 2.918841 2.003488
C -2.421683 2.904720 2.010225
C -0.011877 1.980683 -3.352039
C 4.095095 -2.285936 1.032349
C 2.550184 -3.113382 -0.807501
C 4.262470 -1.303290 -1.306098
C -4.261002 -1.328554 -1.294287
C -2.537093 -3.128641 -0.799531
C -4.082200 -2.309692 1.043949
H 0.001286 -0.733809 0.485792
H -0.888262 -0.065069 -1.699876
H 0.880832 -0.059734 -1.702360
H -0.895369 2.457816 -1.428849
H 0.873212 2.463294 -1.430954
H -0.009282 3.701891 2.213386
H 2.493797 3.923344 1.567918
H 2.390669 3.013629 3.097498
H 3.363999 2.400698 1.757268
H -2.515437 3.908672 1.574849
H -3.376160 2.380981 1.766685
H -2.402669 2.999677 3.104177
H 0.872251 1.489766 -3.773636
H -0.893721 1.483910 -3.771556
H -0.015735 3.015659 -3.709739
H 3.402125 -2.622197 1.811812
H 4.837087 -3.074346 0.876368
H 4.623714 -1.405101 1.431937
H 1.956544 -2.809290 -1.678789
H 1.839164 -3.487574 -0.060022
H 3.199803 -3.940789 -1.106966
H 4.790284 -0.428410 -0.892226
H 5.019241 -2.004659 -1.669125
H 3.687324 -0.948438 -2.168676
H -3.689959 -0.970123 -2.158118
H -5.014274 -2.034505 -1.655697
H -4.793197 -0.456930 -0.879165
H -1.821792 -3.498274 -0.053866
H -1.947692 -2.821453 -1.672606
H -3.182640 -3.960017 -1.096801
H -4.614538 -1.431709 1.444883
H -4.820358 -3.102065 0.889857
H -3.385451 -2.642225 1.821635


%chk=000216403-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216403

0 1
O 2.335140 -1.022678 0.010435
O -2.332419 -1.035443 0.014413
O 3.668228 0.619923 1.034893
O -3.670868 0.596493 1.048861
N -0.007662 2.821800 1.542723
C -0.002413 0.395763 0.066338
C -0.005208 0.640191 -1.483184
C 1.262801 0.966430 0.720223
C -1.269154 0.958630 0.724050
C 1.234560 2.197684 1.353299
C -1.246523 2.189899 1.357286
C -0.010254 2.118898 -1.928270
C 2.534760 0.225349 0.625404
C -2.536868 0.209827 0.633343
C 3.485722 -2.000027 -0.175568
C -3.477733 -2.019469 -0.168592
C 2.413093 2.953894 1.927456
C -2.428004 2.938455 1.935422
C -0.012970 2.264106 -3.466085
C 4.058063 -2.396000 1.201387
C 2.785223 -3.191764 -0.852869
C 4.549692 -1.375736 -1.102009
C -4.550597 -1.399265 -1.087477
C -2.773273 -3.204698 -0.853150
C -4.040094 -2.423119 1.210257
H 0.001112 -0.698185 0.197810
H -0.893782 0.126929 -1.902006
H 0.885406 0.132353 -1.904338
H -0.900531 2.629258 -1.509495
H 0.878162 2.634588 -1.512081
H -0.009810 3.738167 1.992174
H 2.104567 3.953646 2.287899
H 2.868175 2.397974 2.765194
H 3.214794 3.066709 1.180783
H -2.124629 3.939832 2.295697
H -3.232593 3.046880 1.191182
H -2.877222 2.379032 2.773974
H 0.880761 1.786581 -3.911052
H -0.904594 1.780206 -3.908394
H -0.017198 3.326342 -3.774321
H 3.253934 -2.776333 1.856463
H 4.805468 -3.200515 1.071383
H 4.541975 -1.536132 1.689510
H 2.321506 -2.878865 -1.804463
H 1.995112 -3.600110 -0.199133
H 3.519233 -3.990660 -1.062370
H 5.025338 -0.504951 -0.625259
H 5.327455 -2.128909 -1.326878
H 4.091230 -1.058958 -2.055989
H -4.099407 -1.077255 -2.043170
H -5.324999 -2.156597 -1.309993
H -5.028905 -0.532616 -0.605883
H -1.976618 -3.609405 -0.205129
H -2.317224 -2.886176 -1.806578
H -3.503139 -4.007942 -1.060482
H -4.526674 -1.567797 1.703690
H -4.783153 -3.231925 1.081948
H -3.229995 -2.800408 1.859720


