%chk=000217772.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217772

0 1
N -3.033501 -2.403362 0.867717
C -0.080747 -0.341164 -0.170455
C -0.995769 -0.950849 0.928230
C -2.332399 -1.254274 0.213907
C -0.531219 -1.064287 -1.476645
C -1.944447 -1.620350 -1.241013
C 1.408091 -0.610547 0.019269
C -0.331643 1.166608 -0.178267
C 1.894492 -1.494266 0.990336
C 0.332305 1.974432 0.762942
C 2.323026 0.028437 -0.838083
C -1.242856 1.764904 -1.058379
C -4.479545 -2.453918 0.514733
C 3.267952 -1.730960 1.111863
C 0.099837 3.349571 0.808467
C 3.692436 -0.209072 -0.716757
C -1.474785 3.143970 -1.011726
C 4.170400 -1.089607 0.260882
C -0.804533 3.940591 -0.081098
H -1.124472 -0.272409 1.784367
H -0.552552 -1.886293 1.325708
H -2.961829 -0.328282 0.205335
H 0.165729 -1.892561 -1.705192
H -0.488882 -0.391863 -2.347619
H -2.671610 -1.214411 -1.959669
H -1.956278 -2.719551 -1.373222
H -2.940649 -2.336421 1.887146
H 1.200590 -2.012407 1.654843
H 1.040301 1.525087 1.459793
H 1.958495 0.719361 -1.597981
H -1.782955 1.161060 -1.786383
H -4.927904 -3.338710 0.995737
H -4.587601 -2.590075 -0.573964
H -5.060812 -1.566970 0.807687
H 3.631282 -2.419904 1.872368
H 0.624235 3.964045 1.538211
H 4.391144 0.292341 -1.384248
H -2.182543 3.595225 -1.704718
H 5.238108 -1.273296 0.355096
H -0.983891 5.012477 -0.046221


%chk=000217772-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217772

0 1
N -3.141012 -2.274298 0.918570
C -0.035340 -0.435846 -0.171750
C -0.915780 -1.136556 0.911491
C -2.323695 -1.218169 0.276850
C -0.536494 -1.177411 -1.463120
C -2.044907 -1.508590 -1.234068
C 1.483718 -0.636413 0.002751
C -0.353890 1.082433 -0.169758
C 2.050590 -1.407247 1.048101
C 0.135416 1.881568 0.899420
C 2.365647 -0.041721 -0.940812
C -1.133953 1.717850 -1.167954
C -4.555011 -2.295365 0.490864
C 3.451163 -1.587465 1.144213
C -0.147417 3.261118 0.972753
C 3.761258 -0.222781 -0.853009
C -1.416371 3.103050 -1.102974
C 4.313437 -1.000345 0.193025
C -0.927701 3.881876 -0.031765
H -0.907216 -0.606776 1.881696
H -0.563860 -2.174615 1.070479
H -2.815679 -0.217571 0.363690
H 0.042613 -2.113350 -1.556772
H -0.349344 -0.596165 -2.383534
H -2.705407 -0.912415 -1.889132
H -2.244692 -2.576958 -1.432497
H -3.063603 -2.222861 1.944326
H 1.405938 -1.872278 1.800870
H 0.759453 1.416219 1.672178
H 1.949936 0.578814 -1.743956
H -1.528709 1.139009 -2.009397
H -5.102419 -3.070569 1.056021
H -4.616206 -2.560434 -0.580139
H -5.088023 -1.321234 0.624664
H 3.865478 -2.185846 1.964023
H 0.245876 3.853943 1.806670
H 4.418892 0.244944 -1.594812
H -2.019524 3.570565 -1.890052
H 5.397788 -1.140346 0.266621
H -1.145951 4.954538 0.019224


