%chk=000271114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271114

0 1
S -0.137180 0.359324 -0.660626
O 2.490908 3.529968 -0.614232
O 1.690124 -3.321178 -0.708093
O 0.699112 2.758764 0.338445
O 0.133424 -2.190944 0.297115
O 6.463986 0.679179 0.242510
O 6.214392 -1.476340 0.219600
O -6.885636 -1.569500 -0.541401
O -7.240455 0.560284 -0.407485
N 1.807407 2.645808 -0.143098
N 1.234510 -2.319039 -0.200485
N 5.799617 -0.335506 0.179108
N -6.518968 -0.422047 -0.348546
C 1.565300 0.158790 -0.234831
C -0.977208 0.416325 0.962582
C -2.413300 0.204246 0.615046
C 2.401000 1.276436 -0.128573
C 2.123970 -1.122702 -0.155482
C 4.324189 -0.163381 0.043878
C 3.788990 1.132218 -0.004130
C 3.507957 -1.301508 -0.031927
C -2.886850 -1.098079 0.375233
C -3.287828 1.300782 0.528388
C -5.092773 -0.204740 -0.017041
C -4.227405 -1.307680 0.058959
C -4.631218 1.100093 0.213437
H -0.781253 1.394556 1.452776
H -0.590749 -0.381121 1.632794
H 4.449779 2.015947 0.050714
H 3.950300 -2.313243 0.000982
H -2.198232 -1.948932 0.427975
H -2.919237 2.313655 0.702932
H -4.611540 -2.316854 -0.130639
H -5.326232 1.944918 0.143314


%chk=000271114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271114

0 1
S -0.116627 0.377475 -0.889358
O 2.680834 3.544174 -0.818337
O 1.927583 -3.323635 -1.035526
O 0.901542 2.929381 0.475476
O 0.304030 -2.410826 0.286754
O 6.578587 0.745870 0.496674
O 6.329307 -1.524884 0.424513
O -7.118957 -1.623556 -0.334789
O -7.462025 0.629980 -0.243700
N 1.980078 2.677229 -0.176886
N 1.425664 -2.364692 -0.342001
N 5.872982 -0.322732 0.367527
N -6.701218 -0.411344 -0.187123
C 1.615966 0.168006 -0.326423
C -1.051629 0.409104 0.817997
C -2.516083 0.196200 0.550981
C 2.492713 1.275217 -0.152295
C 2.229651 -1.113473 -0.226251
C 4.409641 -0.154460 0.133983
C 3.876361 1.142874 0.060398
C 3.607702 -1.297885 -0.015260
C -3.028598 -1.118331 0.371969
C -3.398611 1.306029 0.471544
C -5.251255 -0.200781 0.064598
C -4.399012 -1.325557 0.130628
C -4.773104 1.116635 0.230250
H -0.820805 1.389296 1.256800
H -0.606348 -0.413490 1.394848
H 4.522675 2.019276 0.160700
H 4.047711 -2.298224 0.025703
H -2.345643 -1.973307 0.420064
H -3.005062 2.320052 0.602231
H -4.817421 -2.326037 -0.005948
H -5.471726 1.954915 0.169458


