%chk=000206326.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206326

0 1
S -0.568702 -2.252745 0.633479
F -5.756371 -2.077404 -0.490931
F 5.587729 -0.867160 -0.749094
F 4.018615 -1.827815 -1.786358
F 4.332483 0.252498 -2.023567
N -0.303518 0.342892 0.449770
N -2.025456 1.942625 -0.036885
C -0.767035 1.685095 0.238237
C 1.096797 0.071488 0.765247
C -2.567485 -0.457673 0.046379
C -1.178923 -0.752855 0.364315
C 0.219648 2.819677 0.339166
C -2.958567 0.893368 -0.146880
C 1.992350 -0.207429 -0.276298
C 1.516619 0.102288 2.104943
C 3.339574 -0.432463 0.039221
C -3.531135 -1.484786 -0.072142
C -4.304126 1.222615 -0.455797
C 0.909921 3.065395 -0.998338
C 2.860989 -0.135057 2.395098
C 3.776043 -0.399135 1.369293
C -4.833135 -1.120909 -0.375302
C -5.245066 0.216636 -0.571035
C 4.297602 -0.715243 -1.088720
H -0.327208 3.742601 0.651141
H 0.967460 2.633897 1.138338
H 1.635851 -0.265669 -1.308288
H 0.799810 0.288124 2.906540
H -3.242865 -2.532769 0.073628
H -4.571478 2.272521 -0.598250
H 1.570099 3.940952 -0.942515
H 0.181133 3.260908 -1.797831
H 1.526070 2.214315 -1.312496
H 3.201089 -0.123591 3.432226
H 4.821926 -0.583422 1.624195
H -6.286138 0.444731 -0.808489


%chk=000206326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206326

0 1
S -0.624649 -2.403875 0.637997
F -5.870041 -2.064166 -0.484682
F 5.680572 -0.318493 -0.693733
F 4.407344 -2.035139 -1.439541
F 4.050709 0.054658 -2.234145
N -0.304681 0.309239 0.447915
N -1.992783 1.954119 -0.035417
C -0.735778 1.648388 0.243689
C 1.094940 0.041860 0.769532
C -2.575191 -0.459096 0.051648
C -1.184569 -0.807348 0.371204
C 0.272854 2.778672 0.308436
C -2.932877 0.919016 -0.142158
C 2.016588 -0.172755 -0.271751
C 1.503246 0.006273 2.120519
C 3.371025 -0.408422 0.051584
C -3.572834 -1.465017 -0.065083
C -4.279034 1.266150 -0.449410
C 0.842023 3.140817 -1.090647
C 2.858471 -0.233657 2.430959
C 3.798880 -0.441905 1.399034
C -4.876363 -1.075487 -0.367587
C -5.260935 0.273356 -0.565069
C 4.356874 -0.668290 -1.053018
H -0.271000 3.652387 0.705308
H 1.097833 2.545001 1.001582
H 1.680813 -0.171642 -1.312783
H 0.762931 0.151879 2.913417
H -3.302635 -2.514692 0.083031
H -4.516416 2.323973 -0.590653
H 1.494164 4.028254 -1.011787
H 0.020372 3.374253 -1.789293
H 1.442353 2.318286 -1.516711
H 3.181794 -0.262845 3.475831
H 4.852214 -0.620433 1.634283
H -6.301614 0.513183 -0.800499


