%chk=000186518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186518

0 1
S 3.053038 -1.742652 -1.222999
P 2.209050 1.184705 -0.400744
O 0.879050 1.362406 0.657535
O 1.902276 1.503072 -1.816579
O -4.768933 -0.435114 -1.429910
O -5.079567 -0.454010 0.709523
N -4.385165 -0.277393 -0.280821
C 2.735179 -0.530666 -0.044426
C 3.368408 2.282923 0.531435
C -0.372944 0.942395 0.313464
C 2.913802 -1.029922 1.216526
C -0.844950 0.769626 -0.999035
C -1.205602 0.733919 1.437823
C 3.319965 -2.411146 1.219948
C -2.996638 0.150378 -0.074346
C 3.440234 -2.934664 -0.037423
C -2.163179 0.369977 -1.186752
C -2.518799 0.339518 1.238726
H 4.404227 1.921638 0.479777
H 3.353698 3.304550 0.119118
H 3.086893 2.358070 1.592279
H 2.770412 -0.487038 2.145107
H -0.206438 0.964636 -1.873472
H -0.801494 0.892540 2.436367
H 3.501572 -2.954508 2.137481
H 3.727597 -3.936834 -0.313308
H -2.563241 0.226500 -2.198411
H -3.192250 0.168894 2.087017


%chk=000186518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186518

0 1
S 3.234793 -1.603729 -1.340862
P 2.348086 1.251833 -0.368104
O 0.904155 1.521617 0.667943
O 2.173726 1.537398 -1.932696
O -4.693954 -0.754064 -1.439673
O -5.150462 -0.428775 0.772761
N -4.354545 -0.387094 -0.246875
C 2.759426 -0.494011 -0.001996
C 3.458665 2.398160 0.578668
C -0.374267 1.028608 0.370583
C 2.760222 -1.143473 1.227921
C -0.780821 0.640489 -0.934286
C -1.275617 0.966646 1.464497
C 3.138729 -2.529424 1.138285
C -2.979796 0.106019 -0.034634
C 3.426620 -2.930901 -0.159024
C -2.091441 0.170719 -1.131704
C -2.586470 0.506448 1.264004
H 4.478772 2.318600 0.172144
H 3.082175 3.424321 0.448302
H 3.449415 2.127936 1.645174
H 2.477111 -0.652882 2.162884
H -0.087332 0.726642 -1.776589
H -0.930341 1.284414 2.452267
H 3.189881 -3.200517 1.998431
H 3.733954 -3.912173 -0.517496
H -2.439324 -0.137117 -2.121213
H -3.305162 0.446111 2.085187


