%chk=000232630.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232630

0 1
S 1.204321 1.425788 -0.051663
O -2.331060 3.237067 0.809586
O -0.192505 3.074725 0.455000
O -3.939683 -2.822161 0.180364
O -4.961203 -0.966323 0.627650
N -1.327470 2.599357 0.557293
N -3.964912 -1.617083 0.364639
N 2.731777 -0.340492 1.920168
C -0.239355 0.446776 0.054596
C -1.423902 1.152848 0.355876
C 2.461197 0.275701 -0.437061
C -0.291911 -0.943901 -0.140020
C -2.658423 0.491914 0.459886
C -2.684684 -0.888588 0.261379
C -1.502287 -1.610460 -0.037901
C 3.152357 -0.407477 0.585506
C 2.839221 0.116985 -1.775920
C 4.239874 -1.252983 0.236526
C 3.903346 -0.714983 -2.110418
C 4.598585 -1.397262 -1.096011
H 0.624995 -1.499950 -0.366484
H -3.577567 1.053970 0.692602
H -1.565878 -2.697235 -0.184963
H 2.298339 0.651016 -2.561265
H 4.782671 -1.788361 1.010793
H 4.201569 -0.837623 -3.148381
H 5.433497 -2.047712 -1.363957
H 3.381790 -0.647044 2.629450
H 2.170102 0.449192 2.211332


%chk=000232630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232630

0 1
S 1.337304 1.609572 -0.030203
O -2.782659 3.181794 0.912281
O -0.536517 3.420953 0.599976
O -3.764512 -2.949912 0.092409
O -4.958551 -1.064882 0.581786
N -1.613959 2.704068 0.649720
N -3.857574 -1.679024 0.306983
N 2.904566 -0.220947 1.939587
C -0.223897 0.646796 0.087602
C -1.483574 1.253025 0.391654
C 2.550988 0.271755 -0.445917
C -0.219340 -0.757588 -0.140797
C -2.675311 0.500776 0.463467
C -2.614171 -0.879659 0.232242
C -1.390064 -1.521830 -0.071434
C 3.219503 -0.435145 0.604902
C 2.887848 0.052285 -1.800587
C 4.218222 -1.387173 0.231945
C 3.877111 -0.890638 -2.151443
C 4.534048 -1.608364 -1.120411
H 0.728951 -1.244851 -0.383716
H -3.620872 0.997629 0.695454
H -1.378224 -2.600543 -0.247569
H 2.367613 0.625413 -2.575513
H 4.743578 -1.943185 1.017694
H 4.133322 -1.058490 -3.201466
H 5.306553 -2.342896 -1.374568
H 3.408594 -0.709979 2.673945
H 2.263825 0.526740 2.200578


