%chk=000190832.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190832

0 1
O 1.943921 0.804325 -2.137075
O 4.002634 -1.303626 -0.620954
O -1.713096 0.402666 -0.042525
O -2.110201 -1.640679 -1.046444
N 0.058236 -0.890400 -0.640077
C 2.207132 0.332564 -0.807590
C 0.885613 0.180552 -0.001096
C 3.160684 1.388590 -0.188605
C 1.150776 -0.085879 1.489941
C 0.647125 -2.248416 -0.913411
C 3.399509 1.049645 1.294018
C 2.085573 0.974854 2.077596
C 2.880578 -1.055291 -0.980996
C 1.984201 -2.068640 -1.655575
C 0.833124 -3.105198 0.352606
C 2.649874 2.787897 -0.423161
C -1.338278 -0.818181 -0.606958
C -0.495236 -3.455144 1.033649
C 2.986491 3.852338 0.301191
C -0.308417 -4.512937 2.117430
C -3.039966 0.862157 -0.039934
C -4.139653 0.185250 -0.564840
C -3.138310 2.123345 0.571907
C -5.391268 0.804806 -0.470572
C -4.398645 2.713910 0.650873
C -5.523979 2.058871 0.131597
H 0.318780 1.153243 -0.101331
H 4.142453 1.305536 -0.735145
H 1.590268 -1.099125 1.634534
H 0.187796 -0.095437 2.038255
H -0.075950 -2.776083 -1.602346
H 4.070123 1.805993 1.745507
H 3.947705 0.086258 1.362985
H 2.290706 0.744307 3.140502
H 1.589351 1.966718 2.071514
H 1.808582 -1.749028 -2.705673
H 2.507544 -3.044878 -1.739255
H 1.505257 -2.591937 1.076941
H 1.364572 -4.038717 0.075922
H 1.991952 2.879530 -1.295517
H 1.102832 0.432400 -2.488537
H -1.229307 -3.811421 0.280432
H -0.947249 -2.545253 1.476398
H 2.628110 4.847682 0.081974
H 3.641605 3.822061 1.159094
H 0.070102 -5.455621 1.705581
H 0.396247 -4.185606 2.890190
H -1.259515 -4.736126 2.616122
H -4.035593 -0.797248 -1.033126
H -2.250339 2.610911 0.966120
H -6.268447 0.297492 -0.873258
H -4.507175 3.691975 1.119553
H -6.502530 2.529694 0.198467


%chk=000190832-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190832

0 1
O 1.691551 0.824378 -2.085013
O 4.097964 -1.204766 -0.848728
O -1.706457 0.475510 -0.089633
O -2.090411 -1.620292 -1.124200
N 0.064801 -0.941483 -0.474734
C 2.167824 0.346449 -0.761399
C 0.942282 0.087318 0.165550
C 3.121372 1.430106 -0.174043
C 1.361730 -0.248831 1.618307
C 0.628274 -2.262275 -0.912193
C 3.501663 1.083079 1.290223
C 2.261467 0.870152 2.189621
C 2.876227 -1.000569 -1.060602
C 1.962931 -2.048700 -1.692413
C 0.810558 -3.306208 0.227326
C 2.545867 2.829516 -0.368823
C -1.311403 -0.780089 -0.606626
C -0.425444 -3.513480 1.130150
C 2.597837 3.864578 0.506712
C -0.195717 -4.622450 2.178950
C -3.044730 0.978532 -0.132506
C -4.201137 0.217251 -0.418912
C -3.126339 2.352582 0.188046
C -5.456237 0.869144 -0.381018
C -4.388202 2.981430 0.221445
C -5.560408 2.241746 -0.063783
H 0.362932 1.025736 0.185842
H 4.046390 1.372018 -0.786541
H 1.912836 -1.206288 1.655398
H 0.448573 -0.370181 2.229890
H -0.125572 -2.671207 -1.607691
H 4.140451 1.887397 1.699366
H 4.117374 0.164861 1.287146
H 2.581159 0.598603 3.213481
H 1.680402 1.808512 2.270149
H 1.739333 -1.719734 -2.725134
H 2.512172 -3.002470 -1.757357
H 1.693657 -3.059932 0.848491
H 1.052436 -4.267034 -0.272454
H 2.093195 2.989374 -1.356120
H 0.796222 0.425462 -2.250380
H -1.302716 -3.759561 0.501947
H -0.671779 -2.565449 1.647030
H 2.199078 4.848500 0.234006
H 3.040292 3.780919 1.506451
H 0.018338 -5.593349 1.693657
H 0.661235 -4.380599 2.836043
H -1.085540 -4.755988 2.820460
H -4.121083 -0.838794 -0.676720
H -2.207010 2.905439 0.404067
H -6.358401 0.289070 -0.604715
H -4.453320 4.046561 0.468442
H -6.540213 2.730206 -0.039558


