%chk=000214416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214416

0 1
O -1.394637 0.918187 0.252728
N -4.310403 0.295021 -0.311467
N -1.397071 -1.295129 0.760352
C -0.085649 0.432904 0.069867
C -0.083250 -0.920373 0.372405
C -3.584412 0.029352 0.973617
C -2.144204 -0.205876 0.672694
C 0.889939 1.423105 -0.350838
C 1.001718 -1.898971 0.326610
C -4.164191 1.721777 -0.720706
C -5.750096 -0.073976 -0.181658
C 2.219552 1.333292 0.097480
C 0.505668 2.475513 -1.200320
C 1.063043 -2.927297 1.282917
C 1.980412 -1.821831 -0.679386
C 3.154652 2.286158 -0.311455
C 1.448366 3.423938 -1.602388
C 2.104781 -3.856589 1.240326
C 3.017829 -2.756094 -0.714367
C 2.772332 3.330283 -1.160660
C 3.084357 -3.771386 0.245536
H -3.992783 -0.897877 1.450978
H -3.678163 0.847398 1.725780
H -3.088669 1.967921 -0.794024
H -4.640916 2.452127 -0.051984
H -4.590434 1.841520 -1.730170
H -6.245380 0.094837 -1.152908
H -6.307841 0.476948 0.588902
H -5.827366 -1.154089 0.028171
H 2.516945 0.522091 0.763801
H -0.528035 2.543063 -1.540004
H 0.288225 -2.999440 2.047788
H 1.923990 -1.040079 -1.436621
H 4.185058 2.215801 0.034753
H 1.150891 4.237683 -2.262165
H 2.150650 -4.651885 1.982484
H 3.774064 -2.695303 -1.495133
H 3.505351 4.070643 -1.476772
H 3.894277 -4.497370 0.215137


%chk=000214416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000214416

0 1
O -1.325812 1.070144 0.231755
N -4.405777 0.075742 -0.210454
N -1.352012 -1.136211 0.793350
C -0.001934 0.571026 0.048987
C -0.034148 -0.791366 0.375039
C -3.535519 0.164320 0.991190
C -2.082599 -0.038662 0.688486
C 1.000826 1.568025 -0.336740
C 0.994718 -1.846197 0.299061
C -4.249086 1.223913 -1.127025
C -5.816473 -0.156431 0.161534
C 2.362192 1.436433 0.058333
C 0.611791 2.718553 -1.080213
C 0.872666 -2.985719 1.141209
C 2.073964 -1.792143 -0.625422
C 3.307990 2.418001 -0.301027
C 1.561833 3.698059 -1.434785
C 1.822394 -4.026669 1.083152
C 3.020348 -2.836569 -0.683459
C 2.915891 3.551257 -1.052586
C 2.904664 -3.955714 0.174676
H -3.824403 -0.645516 1.682544
H -3.662261 1.138573 1.529165
H -3.199318 1.309730 -1.452106
H -4.548066 2.199103 -0.663712
H -4.874274 1.060423 -2.022385
H -6.417326 -0.292297 -0.754969
H -6.269740 0.683544 0.748228
H -5.898134 -1.080290 0.761100
H 2.672722 0.577526 0.661347
H -0.436466 2.835872 -1.373001
H 0.019978 -3.041220 1.824965
H 2.159788 -0.947014 -1.316174
H 4.350588 2.303801 0.015641
H 1.246372 4.575392 -2.010237
H 1.716400 -4.895445 1.742469
H 3.841712 -2.782625 -1.406863
H 3.653742 4.312089 -1.329665
H 3.641367 -4.765439 0.127893


