%chk=000210528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210528

0 1
O 0.233269 -0.304288 -0.003841
O -3.804474 -1.959554 1.901312
N 3.035325 1.416315 -1.593810
N -3.847731 -0.606606 0.063900
N -1.836500 0.279141 -0.909390
N -5.307848 0.798572 -1.910860
C 3.326294 2.709121 -0.910166
C 4.212838 0.756913 -2.248782
C 4.577009 2.747736 -0.014967
C 5.248108 1.735414 -2.822796
C 5.828706 3.185657 -0.785034
C 6.315653 2.143130 -1.799078
C 2.329777 0.455189 -0.688326
C 0.839114 0.584038 -1.028346
C -1.103556 -0.418530 0.047598
C -1.667599 -1.221807 1.044409
C -3.091547 -1.360705 1.131469
C -0.843640 -1.945684 2.029208
C -3.168999 0.174884 -0.895120
C -1.257411 -2.046778 3.369513
C 0.366619 -2.543778 1.635046
C -5.255173 -0.675996 0.018947
C -4.000249 0.876779 -1.888403
C -0.468902 -2.730721 4.296623
C 1.149045 -3.225916 2.568977
C -5.943277 0.011620 -0.945729
C 0.735906 -3.320901 3.901390
H 2.430890 2.999451 -0.318390
H 3.411565 3.472798 -1.718165
H 3.779844 0.155292 -3.082814
H 4.727708 0.041381 -1.569776
H 4.746544 1.759473 0.452418
H 4.404034 3.447873 0.825020
H 4.744556 2.632144 -3.234548
H 5.742481 1.252945 -3.689656
H 6.644435 3.398198 -0.065636
H 5.630568 4.144873 -1.302875
H 7.196217 2.549437 -2.335821
H 6.682271 1.245821 -1.263029
H 2.492737 0.652418 0.394009
H 2.657918 -0.594061 -0.849148
H 0.576693 0.196331 -2.025046
H 0.437590 1.600721 -0.894748
H -2.203009 -1.604040 3.683389
H 0.696266 -2.470293 0.599384
H -5.730701 -1.301666 0.791018
H -3.474167 1.489694 -2.637805
H -0.797050 -2.805734 5.332105
H 2.083383 -3.687964 2.256088
H -7.036304 -0.014402 -1.018192
H 1.346476 -3.853435 4.626273


%chk=000210528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210528

0 1
O 0.285531 -0.412506 0.086082
O -3.924065 -1.953955 1.927984
N 3.189642 1.300013 -1.529950
N -3.827409 -0.511458 0.078738
N -1.745984 0.274273 -0.835230
N -5.191060 1.010197 -1.876939
C 3.297013 2.686035 -1.006884
C 4.408759 0.685481 -2.118167
C 4.573087 3.036917 -0.184915
C 5.323632 1.661883 -2.891194
C 5.751687 3.500309 -1.074744
C 6.346209 2.409793 -1.997885
C 2.450743 0.370500 -0.648226
C 0.941304 0.504563 -0.895727
C -1.090249 -0.477022 0.101695
C -1.713181 -1.293705 1.093473
C -3.164099 -1.324172 1.133301
C -0.950369 -2.097640 2.087054
C -3.087935 0.250051 -0.848137
C -1.447397 -2.270877 3.412184
C 0.279920 -2.731583 1.745628
C -5.219643 -0.516513 0.026259
C -3.853515 1.004348 -1.812809
C -0.731655 -3.031011 4.359993
C 0.984078 -3.504058 2.691802
C -5.870726 0.231202 -0.939691
C 0.486841 -3.654925 4.007101
H 2.400522 2.858993 -0.382043
H 3.223471 3.404026 -1.849312
H 4.069518 -0.116089 -2.804769
H 5.036068 0.185031 -1.336548
H 4.869822 2.169882 0.440575
H 4.321567 3.857568 0.516547
H 4.707336 2.376223 -3.471571
H 5.889783 1.065872 -3.633690
H 6.563469 3.900854 -0.434899
H 5.397702 4.348956 -1.697310
H 7.115238 2.880270 -2.642949
H 6.877504 1.657581 -1.377855
H 2.663730 0.529384 0.434353
H 2.753846 -0.666609 -0.881376
H 0.672460 0.205083 -1.922299
H 0.576002 1.532558 -0.724973
H -2.400629 -1.817464 3.692571
H 0.681522 -2.620169 0.735975
H -5.703640 -1.136624 0.783951
H -3.291903 1.604895 -2.534529
H -1.131738 -3.141960 5.374065
H 1.922397 -3.989847 2.400800
H -6.960912 0.238267 -1.000326
H 1.037406 -4.252322 4.742620


