%chk=000223613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223613

0 1
S 3.083714 -0.164291 -0.548688
S -3.083665 -0.164460 0.548676
O 3.207495 0.453339 -1.850513
O 3.559896 -1.516244 -0.353911
O -3.207479 0.453072 1.850543
O -3.559789 -1.516419 0.353799
N 1.432960 -0.153282 -0.047674
N -1.432910 -0.153342 0.047670
N 3.817241 0.914812 0.584930
N -3.817235 0.914693 -0.584868
C 0.674661 1.088398 -0.375718
C 0.665917 -1.387140 -0.389437
C -0.674660 1.088339 0.375821
C -0.665819 -1.387199 0.389327
C 3.876107 0.377358 1.967888
C 5.116976 1.458700 0.114532
C -3.876062 0.377340 -1.967866
C -5.117001 1.458480 -0.114440
H 0.495702 1.188358 -1.471959
H 1.271292 1.972361 -0.051048
H 1.269095 -2.280411 -0.095942
H 0.459202 -1.463088 -1.481673
H -0.495706 1.188211 1.472071
H -1.271326 1.972306 0.051228
H -1.268962 -2.280470 0.095756
H -0.459101 -1.463232 1.481556
H 2.848929 0.165071 2.319664
H 4.295910 1.138406 2.647840
H 4.478426 -0.542078 2.070345
H 5.398404 2.319962 0.746038
H 5.009148 1.841631 -0.920040
H 5.948199 0.735268 0.136440
H -4.478329 -0.542123 -2.070397
H -2.848869 0.165137 -2.319652
H -4.295904 1.138415 -2.647764
H -5.009199 1.841345 0.920159
H -5.948186 0.735006 -0.136404
H -5.398471 2.319771 -0.745888


%chk=000223613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223613

0 1
S 3.154610 -0.239516 -0.608576
S -3.154553 -0.239704 0.608556
O 3.326973 0.478247 -2.060550
O 3.691997 -1.761207 -0.384470
O -3.326941 0.477946 2.060583
O -3.691875 -1.761401 0.384340
N 1.392574 -0.242751 0.021264
N -1.392517 -0.242814 -0.021289
N 3.779481 1.019545 0.663591
N -3.779479 1.019425 -0.663517
C 0.674095 1.000877 -0.377965
C 0.666811 -1.482835 -0.388908
C -0.674097 1.000816 0.378037
C -0.666697 -1.482897 0.388784
C 3.948577 0.348625 1.979835
C 5.003602 1.695311 0.153859
C -3.948555 0.348595 -1.979809
C -5.003623 1.695109 -0.153732
H 0.493431 1.048737 -1.471285
H 1.275961 1.870297 -0.064808
H 1.273632 -2.358658 -0.106072
H 0.458434 -1.511736 -1.478879
H -0.493435 1.048599 1.471361
H -1.276003 1.870232 0.064948
H -1.273477 -2.358726 0.105879
H -0.458318 -1.511876 1.478753
H 3.017635 -0.179895 2.239401
H 4.118018 1.147399 2.724668
H 4.800733 -0.360982 2.011102
H 5.121726 2.622953 0.742793
H 4.851271 1.968057 -0.903078
H 5.925498 1.084691 0.251012
H -4.800684 -0.361043 -2.011124
H -3.017594 -0.179871 -2.239418
H -4.118030 1.147416 -2.724583
H -4.851297 1.967789 0.903223
H -5.925496 1.084460 -0.250922
H -5.121786 2.622787 -0.742603


