%chk=000179598.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179598

0 1
S 2.525935 -1.016030 -0.045011
O 3.027702 -0.388944 1.423424
O 2.592708 -2.440523 0.179433
O 3.202420 -0.435506 -1.154997
O 0.961182 3.028425 0.069115
O 2.548094 1.542335 0.131046
O -3.588771 1.638830 0.024036
O -4.190554 -0.434688 -0.075455
N 1.383150 1.889886 0.078127
N -3.351393 0.445825 -0.024675
C 0.817653 -0.552517 -0.015233
C -1.510472 -1.296963 -0.050334
C 0.383490 0.783411 0.022217
C -0.114821 -1.570746 -0.045843
C -1.917575 0.049426 -0.020793
C -0.972331 1.094748 0.017550
C -2.466565 -2.425883 -0.085233
H 0.213771 -2.623843 -0.059856
H -1.310122 2.147897 0.044243
H -1.989952 -3.416144 -0.096442
H -3.161170 -2.405896 0.778018
H -3.134524 -2.372594 -0.968164
H 3.668945 -0.931507 1.919527


%chk=000179598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179598

0 1
S 2.613288 -1.257022 -0.086617
O 3.298560 -0.886225 1.559563
O 2.466331 -2.859042 -0.103073
O 3.382783 -0.472361 -1.264378
O 0.975205 3.065392 -0.159846
O 2.559154 1.639873 0.634994
O -3.571503 1.748103 0.251633
O -4.235530 -0.328753 -0.406352
N 1.377065 1.896548 0.177132
N -3.332341 0.520334 -0.057262
C 0.802354 -0.590666 0.046049
C -1.557486 -1.316880 -0.021201
C 0.417875 0.768690 0.064205
C -0.163384 -1.601159 0.006859
C -1.908071 0.064874 -0.018247
C -0.948200 1.094346 0.027676
C -2.527915 -2.474149 -0.044381
H 0.178942 -2.642445 -0.011775
H -1.264825 2.140997 0.046499
H -1.991501 -3.424487 0.104898
H -3.307303 -2.373856 0.730376
H -3.071231 -2.515461 -1.004679
H 3.424531 0.112348 1.572629


