%chk=000248039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248039

0 1
S 1.071594 -1.536525 -0.000246
N 0.946151 1.107004 0.002576
C 2.017034 0.082874 -0.001254
C -0.372999 0.646902 0.000648
C -0.501373 -0.768307 0.000367
C 2.853934 0.146129 1.264370
C 2.848429 0.147859 -1.270484
C -1.518866 1.456025 0.000543
C -1.738876 -1.380707 0.000486
C -2.768858 0.824484 0.000668
C -2.886467 -0.568192 0.000645
H 1.174963 2.087600 -0.004571
H 3.434523 1.074640 1.327173
H 2.232081 0.091761 2.170773
H 3.567830 -0.686675 1.320810
H 3.562197 -0.684825 -1.330962
H 2.222928 0.094245 -2.174352
H 3.428923 1.076326 -1.334578
H -1.444357 2.536780 0.000716
H -1.831773 -2.465849 0.000380
H -3.669804 1.438831 0.000754
H -3.869313 -1.030679 0.000738


%chk=000248039-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248039

0 1
S 1.092336 -1.635423 0.003058
N 0.945914 1.059910 0.004006
C 2.040668 0.064210 -0.000130
C -0.382222 0.629111 0.001903
C -0.531944 -0.787614 0.001333
C 2.902821 0.158748 1.277103
C 2.893976 0.159606 -1.283376
C -1.533536 1.451460 0.001052
C -1.798295 -1.389334 -0.000108
C -2.814097 0.844805 -0.000398
C -2.953634 -0.561184 -0.000974
H 1.188137 2.049754 -0.002741
H 3.437419 1.129259 1.302613
H 2.269163 0.076454 2.174646
H 3.657685 -0.647181 1.302153
H 3.649030 -0.645932 -1.313902
H 2.254324 0.077152 -2.176691
H 3.428012 1.130370 -1.312285
H -1.434994 2.543163 0.001737
H -1.898799 -2.479844 -0.000638
H -3.706040 1.481381 -0.001055
H -3.948025 -1.019171 -0.002106


