%chk=000216500.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216500

0 1
O -0.549292 2.875022 -0.465128
N -2.373855 -0.212437 -0.731264
N 0.016486 0.808906 0.317183
C -3.433219 -0.915913 0.060820
C -2.467369 -0.499124 -2.205830
C -4.873202 -0.354629 -0.097460
C -3.096405 -0.877527 1.574361
C -1.351642 0.212092 -3.008403
C -2.239483 -2.005082 -2.494953
C -5.312365 0.164838 1.280038
C -4.390000 -0.503252 2.314048
C -1.136626 -0.655324 -4.258867
C -1.622663 -2.075183 -3.903653
C -2.318715 1.251634 -0.451075
C -0.879311 1.720256 -0.226591
C 1.429209 1.181751 0.579252
C 2.408363 0.415596 -0.298065
C 1.676782 0.972614 2.065866
C 3.759674 0.356792 0.081928
C 1.684035 2.081867 2.922789
C 2.008554 -0.179239 -1.501217
C 1.863845 -0.314526 2.590539
C 4.689720 -0.302805 -0.723779
C 1.885454 1.903523 4.294646
C 2.941909 -0.841400 -2.304733
C 2.063276 -0.487859 3.962455
C 4.282985 -0.907287 -1.918351
C 2.075369 0.620175 4.816317
H -3.426088 -1.984570 -0.272229
H -3.463741 -0.191801 -2.612557
H -5.550314 -1.153996 -0.443730
H -4.930436 0.437608 -0.860296
H -2.293488 -0.152156 1.798642
H -2.709042 -1.854029 1.907608
H -0.411034 0.259678 -2.413367
H -1.612644 1.250139 -3.262482
H -1.546910 -2.439105 -1.750049
H -3.176186 -2.578816 -2.432901
H -6.372367 -0.062782 1.479030
H -5.218897 1.264123 1.329819
H -4.870216 -1.404553 2.734461
H -4.188193 0.165175 3.167012
H -1.703119 -0.253145 -5.116457
H -0.077125 -0.656089 -4.563237
H -0.790159 -2.797801 -3.929607
H -2.362453 -2.429657 -4.640929
H -2.755809 1.878648 -1.261582
H -2.898555 1.516504 0.466174
H -0.244009 -0.168516 0.449873
H 1.549825 2.281123 0.318513
H 4.086411 0.825726 1.010328
H 1.526427 3.083753 2.522860
H 0.961967 -0.123569 -1.831829
H 1.863584 -1.177605 1.925821
H 5.734712 -0.344958 -0.421247
H 1.892271 2.767427 4.957324
H 2.619787 -1.303427 -3.236288
H 2.210731 -1.487708 4.366829
H 5.008533 -1.421981 -2.544218
H 2.232024 0.483480 5.884337


%chk=000216500-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216500

0 1
O -0.424027 3.216630 -0.137762
N -2.181180 0.026216 -0.894166
N 0.239958 0.968403 -0.130765
C -3.055610 -0.460810 0.220269
C -2.513687 -0.564542 -2.228103
C -4.578183 -0.050159 0.144994
C -2.599991 -0.025441 1.639571
C -1.422282 -0.322770 -3.305179
C -2.615695 -2.113259 -2.219635
C -5.020526 0.241263 1.614654
C -3.856150 -0.286427 2.501156
C -1.785679 -1.321243 -4.435417
C -2.465165 -2.534988 -3.712897
C -2.011243 1.503201 -0.921180
C -0.657007 1.985267 -0.351961
C 1.539824 1.182877 0.531199
C 2.708313 0.586401 -0.269532
C 1.450983 0.710856 1.992574
C 3.969682 0.385756 0.349861
C 1.115309 1.645441 3.003387
C 2.583903 0.313431 -1.653979
C 1.608519 -0.653919 2.345862
C 5.073233 -0.084900 -0.394147
C 0.941372 1.228142 4.342296
C 3.686205 -0.162295 -2.400244
C 1.431109 -1.074691 3.682327
C 4.936358 -0.365364 -1.773742
C 1.097342 -0.134704 4.686104
H -2.996444 -1.563851 0.191515
H -3.480580 -0.150815 -2.612195
H -5.177193 -0.861035 -0.308299
H -4.712432 0.841354 -0.496653
H -2.354477 1.053143 1.666809
H -1.706066 -0.575204 1.982324
H -0.438677 -0.575753 -2.862362
H -1.372357 0.719462 -3.667024
H -1.777250 -2.512479 -1.615660
H -3.557550 -2.485818 -1.780113
H -5.988160 -0.227238 1.868227
H -5.135675 1.330782 1.768555
H -3.973340 -1.373302 2.681625
H -3.809945 0.210297 3.486183
H -2.491436 -0.853238 -5.146638
H -0.895903 -1.621677 -5.016040
H -1.861547 -3.455495 -3.801922
H -3.450439 -2.753719 -4.162847
H -2.074905 1.884792 -1.956255
H -2.798155 2.038048 -0.353436
H -0.159445 0.026297 -0.276222
H 1.664077 2.285831 0.542006
H 4.087544 0.599400 1.418281
H 0.979080 2.699587 2.732814
H 1.622053 0.489231 -2.147661
H 1.882279 -1.385217 1.575649
H 6.039505 -0.231764 0.101833
H 0.685925 1.963016 5.114022
H 3.569801 -0.367389 -3.470757
H 1.556740 -2.131977 3.942807
H 5.792271 -0.732102 -2.351421
H 0.964015 -0.460944 5.723810


