%chk=000285629.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285629

0 1
S 2.023579 -2.309254 0.092294
O -3.228299 1.924309 0.462780
O 2.718983 -3.119713 1.075532
O 2.091585 -2.665694 -1.297784
O -0.507704 -0.899144 -0.707244
N -2.008980 -2.228131 0.440304
N 0.365661 -2.531102 0.636564
C -3.595937 -0.376651 1.075095
C -2.650134 0.824646 1.192443
C -3.165894 -1.398156 0.017756
C -2.478455 2.398786 -0.691598
C 2.366226 -0.655578 0.343749
C -2.642130 1.443259 -1.866778
C -3.102787 3.768230 -0.945499
C -0.716585 -1.819415 0.078314
C 3.085020 -0.262535 1.483699
C 1.959744 0.309057 -0.586845
C 2.982575 2.050264 0.758361
C 3.391753 1.077876 1.693304
C 2.265665 1.655919 -0.381549
C 3.319122 3.484477 0.990005
H -3.719321 -0.859327 2.061489
H -4.603799 0.014994 0.806338
H -2.611625 1.200076 2.232332
H -1.627635 0.601180 0.842769
H -4.003715 -2.090792 -0.219844
H -2.896181 -0.865806 -0.937019
H -1.408551 2.486391 -0.398228
H -2.159948 -2.837381 1.236994
H -3.697753 1.299625 -2.121106
H -2.217562 0.448085 -1.630615
H -2.127688 1.808250 -2.760531
H -4.185345 3.680359 -1.107077
H -2.969154 4.426360 -0.078665
H -2.666463 4.252870 -1.823061
H 0.178492 -3.309823 1.281113
H 3.411891 -1.017536 2.209698
H 1.386671 0.008955 -1.477173
H 3.950827 1.377201 2.577592
H 1.943479 2.397031 -1.110926
H 2.901737 4.153903 0.225387
H 2.942907 3.835323 1.962905
H 4.408930 3.642012 0.992728


%chk=000285629-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285629

0 1
S 1.941300 -2.425232 0.154257
O -3.733873 1.395507 -0.153842
O 2.706860 -3.302782 1.292126
O 1.945103 -2.891094 -1.392289
O -0.655531 -0.981039 -0.760020
N -2.105683 -2.211749 0.615296
N 0.221757 -2.444898 0.840540
C -4.036674 -0.651060 1.069709
C -3.356803 0.724222 1.095974
C -3.354731 -1.629962 0.084313
C -3.003802 2.662191 -0.412209
C 2.494280 -0.631713 0.295008
C -1.616171 2.385570 -1.023048
C -3.909625 3.474173 -1.347077
C -0.852073 -1.831822 0.158719
C 3.282013 -0.299732 1.407765
C 2.152358 0.268252 -0.725813
C 3.440488 1.986906 0.494982
C 3.751296 1.029578 1.496702
C 2.637291 1.588634 -0.607899
C 3.979645 3.402662 0.584032
H -4.049712 -1.086143 2.089115
H -5.089236 -0.502979 0.761678
H -3.709949 1.323509 1.964512
H -2.254320 0.611528 1.174576
H -4.043181 -2.457167 -0.172383
H -3.098806 -1.094049 -0.844974
H -2.886272 3.204346 0.554558
H -2.183113 -2.911962 1.354525
H -1.726456 1.890939 -2.004123
H -1.008074 1.720280 -0.386494
H -1.066078 3.335952 -1.163338
H -4.095247 2.906159 -2.276233
H -4.882140 3.678472 -0.867071
H -3.434107 4.435648 -1.614077
H 0.119160 -3.212842 1.515409
H 3.528660 -1.055500 2.160280
H 1.515112 -0.047043 -1.555799
H 4.370136 1.322785 2.352263
H 2.383207 2.319377 -1.384137
H 3.256741 4.137685 0.188918
H 4.221352 3.681992 1.623840
H 4.908099 3.505802 -0.010267


