%chk=000206284.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206284

0 1
S -1.358954 3.210217 0.874387
F -5.246289 -2.133205 -0.488085
F -3.507677 -2.659406 -1.561545
F -3.631214 -3.048532 0.513541
N 0.158903 0.594227 0.487280
N 3.590884 -1.805114 -0.160441
N 5.850659 -1.711388 0.502857
N 4.933927 -3.865558 -0.026768
C 0.924120 -0.670860 0.678865
C -1.246383 0.517854 0.292317
C 0.888918 1.781436 0.168275
C 1.234474 -1.403794 -0.637176
C -2.057130 1.670380 0.428958
C 0.276751 3.045770 0.278318
C -1.883991 -0.706900 0.006486
C 2.312819 -2.482486 -0.441223
C -3.278687 -0.761657 -0.115011
C 2.242779 1.726004 -0.228169
C -3.437184 1.610748 0.280116
C -4.063592 0.384810 0.015413
C 0.968395 4.218564 -0.022033
C 2.936780 2.903381 -0.505253
C 2.308490 4.150070 -0.411074
C -3.906582 -2.102605 -0.403190
C 4.693525 -2.457657 0.087111
H 0.352622 -1.326271 1.373567
H 1.875555 -0.421818 1.212416
H 0.316705 -1.867769 -1.050370
H 1.574776 -0.677840 -1.406959
H -1.295029 -1.616093 -0.130053
H 2.017907 -3.171945 0.381292
H 2.381465 -3.097282 -1.369431
H 2.763451 0.767797 -0.321858
H -4.045027 2.514380 0.374477
H -5.147913 0.351696 -0.085026
H 0.470921 5.187581 0.050775
H 3.983176 2.847104 -0.806500
H 2.857981 5.060020 -0.639032
H 5.690815 -0.703059 0.508725
H 6.690589 -1.922091 -0.029656
H 5.731890 -4.225305 0.486749
H 4.123573 -4.456004 0.115828


%chk=000206284-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206284

0 1
S -1.345490 3.255724 0.941468
F -5.292658 -2.019000 -0.858479
F -3.253441 -3.010961 -1.020638
F -4.252590 -2.794697 0.996903
N 0.136297 0.533194 0.432183
N 3.594913 -1.629810 -0.203545
N 5.786163 -1.545831 0.639446
N 4.946167 -3.635457 -0.024530
C 0.870417 -0.750538 0.564501
C -1.275532 0.495441 0.297585
C 0.907189 1.710350 0.159950
C 1.207894 -1.465586 -0.772465
C -2.082955 1.668206 0.428788
C 0.344266 3.013392 0.264112
C -1.954152 -0.728497 0.050958
C 2.408462 -2.420117 -0.599796
C -3.362352 -0.778074 -0.055489
C 2.277821 1.614967 -0.218607
C -3.481991 1.616099 0.274393
C -4.142918 0.391650 0.045690
C 1.090868 4.166810 -0.043129
C 3.034160 2.776483 -0.488596
C 2.449423 4.058031 -0.417515
C -4.024496 -2.108467 -0.237658
C 4.707319 -2.260677 0.105284
H 0.282674 -1.415702 1.223211
H 1.819835 -0.542035 1.085745
H 0.340447 -2.030699 -1.161622
H 1.471112 -0.712503 -1.536385
H -1.391478 -1.653586 -0.074982
H 2.158447 -3.203484 0.157009
H 2.567336 -2.948507 -1.568354
H 2.771452 0.639679 -0.300275
H -4.060402 2.541651 0.358363
H -5.230383 0.352544 -0.055697
H 0.612750 5.149600 0.031744
H 4.086986 2.666532 -0.771643
H 3.031704 4.957496 -0.641308
H 5.615480 -0.556171 0.807341
H 6.740875 -1.838051 0.438969
H 5.678976 -4.090581 0.514439
H 4.258601 -4.221418 -0.488468


