%chk=000251362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251362

0 1
S -1.666961 -1.324420 0.069666
N 1.065851 -0.418982 0.050727
C -1.174009 0.368546 0.049310
C 0.255681 0.649228 0.041740
C 2.999742 1.096515 0.028223
C 2.438754 -0.214539 0.044174
C -3.515322 0.507042 0.055058
C -3.360200 -0.899933 0.070220
C -2.243110 1.207215 0.043313
C 0.750335 1.999171 0.025580
C 2.106566 2.208957 0.019020
C 3.299499 -1.358845 0.053821
C 4.664741 -1.192410 0.047706
C 4.422602 1.235201 0.022229
C 5.228907 0.127947 0.031656
C -4.810555 1.057156 0.052978
C -4.457126 -1.763469 0.083238
C -5.904403 0.199609 0.065923
C -5.730408 -1.200961 0.080953
C 5.592623 -2.362238 0.057452
H -2.196769 2.287503 0.031143
H 0.045946 2.826504 0.018872
H 2.518628 3.218606 0.006801
H 2.835679 -2.346103 0.065965
H 4.848504 2.238251 0.010043
H 6.313040 0.228896 0.027153
H -4.944638 2.136197 0.041401
H -4.319821 -2.842845 0.094808
H -6.914364 0.606883 0.064542
H -6.608646 -1.844960 0.090852
H 6.246894 -2.345683 0.941309
H 5.062787 -3.324709 0.069035
H 6.242056 -2.364328 -0.830113


%chk=000251362-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000251362

0 1
S -1.678609 -1.440577 0.073011
N 1.099709 -0.450763 0.052329
C -1.174793 0.313916 0.051133
C 0.257929 0.614212 0.043516
C 3.025463 1.114125 0.028351
C 2.465283 -0.221795 0.045005
C -3.545314 0.508454 0.055009
C -3.416100 -0.920412 0.071457
C -2.262832 1.174810 0.043947
C 0.736045 1.975588 0.027222
C 2.106720 2.214967 0.019788
C 3.346012 -1.350302 0.054143
C 4.736950 -1.187627 0.047102
C 4.447087 1.266816 0.021351
C 5.278422 0.145603 0.030439
C -4.847600 1.082147 0.051499
C -4.544353 -1.765401 0.084254
C -5.975419 0.242545 0.064177
C -5.825767 -1.173250 0.080509
C 5.677344 -2.378581 0.056533
H -2.166107 2.263486 0.030941
H 0.024999 2.806205 0.020936
H 2.493910 3.240552 0.007417
H 2.888689 -2.345036 0.066751
H 4.876155 2.276165 0.008663
H 6.368089 0.272826 0.024895
H -4.962946 2.172002 0.038980
H -4.435243 -2.854917 0.096756
H -6.980482 0.678083 0.061552
H -6.715233 -1.812742 0.090265
H 6.338712 -2.357560 0.943486
H 5.123405 -3.331948 0.068726
H 6.332379 -2.376588 -0.835346


