%chk=000267716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267716

0 1
S -1.242219 1.405209 -1.015694
O -1.485889 1.632867 -2.432461
O -1.044670 2.550088 -0.136717
N 2.477215 0.184764 -0.025569
N 5.217543 -0.755993 0.204805
C 3.203056 -0.401891 -1.200297
C 3.461205 0.862294 0.883517
C 4.234540 -1.434521 -0.703426
C 4.493328 -0.169428 1.380847
C 1.413273 1.147641 -0.466246
C 0.170349 0.353005 -0.885321
C 6.256940 -1.724954 0.664043
C -2.535974 0.440187 -0.385673
C -2.821242 0.456717 0.983191
C -3.323363 -0.325933 -1.250688
C -3.866261 -0.313688 1.493373
C -4.370400 -1.099817 -0.749719
C -4.648782 -1.099035 0.628430
C -5.759662 -1.934374 1.170910
H 3.716118 0.369271 -1.816928
H 2.462066 -0.908215 -1.853549
H 2.907100 1.274011 1.754044
H 3.988649 1.709475 0.392135
H 3.708929 -2.284133 -0.216168
H 4.791559 -1.842969 -1.573192
H 5.238464 0.341845 2.026746
H 3.984324 -0.936849 2.003566
H 1.742207 1.812710 -1.295642
H 1.157005 1.818687 0.391082
H 0.022538 -0.475054 -0.158037
H 0.365909 -0.173581 -1.841580
H 6.803637 -2.105313 -0.213877
H 5.874817 -2.584486 1.233711
H 6.990354 -1.191735 1.290319
H -2.230111 1.085262 1.658877
H -3.126010 -0.310483 -2.329068
H -4.080504 -0.298704 2.560066
H -4.976948 -1.696071 -1.428319
H -6.575228 -2.071565 0.446929
H -5.396162 -2.938469 1.439957
H -6.207800 -1.501972 2.076623


%chk=000267716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267716

0 1
S -1.224977 1.357077 -0.620669
O -1.202760 1.532629 -2.252406
O -1.174639 2.643934 0.397792
N 2.737011 0.243818 0.047107
N 5.447090 -0.768815 -0.016036
C 3.237050 -0.540399 -1.110899
C 3.848253 0.988963 0.693775
C 4.338975 -1.512266 -0.659899
C 4.949096 0.013135 1.139866
C 1.567695 1.090801 -0.278566
C 0.294797 0.241641 -0.157208
C 6.581195 -1.642517 0.338553
C -2.758683 0.335065 -0.178171
C -3.297252 0.465514 1.111496
C -3.338016 -0.456941 -1.181736
C -4.464589 -0.270711 1.413840
C -4.505326 -1.182654 -0.854987
C -5.077169 -1.108695 0.443563
C -6.317110 -1.913422 0.788916
H 3.648608 0.131942 -1.903663
H 2.401961 -1.114780 -1.552582
H 3.451367 1.524355 1.575667
H 4.295792 1.741297 -0.001098
H 3.890647 -2.268699 0.035003
H 4.737655 -2.049797 -1.540725
H 5.792190 0.585057 1.571021
H 4.536799 -0.652914 1.941397
H 1.629666 1.542635 -1.296118
H 1.504376 1.921272 0.447201
H 0.109039 -0.093050 0.874657
H 0.234589 -0.591904 -0.874234
H 6.955621 -2.152293 -0.567436
H 6.318095 -2.427090 1.093334
H 7.404861 -1.033371 0.752381
H -2.838281 1.146439 1.836405
H -2.908111 -0.472146 -2.189122
H -4.911144 -0.184964 2.411239
H -4.983489 -1.804997 -1.620276
H -6.958475 -2.069414 -0.095685
H -6.041946 -2.913702 1.176068
H -6.920558 -1.415232 1.567236


