%chk=000257529.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257529

0 1
S -0.724471 2.002979 -0.221636
O -0.484249 2.290980 -1.618842
O -0.919488 3.047305 0.752365
O -5.042468 -1.876317 0.480008
N 0.705416 1.122816 0.255945
N 3.475379 3.009210 -0.494284
C 1.831221 0.959618 -0.699051
C 2.623103 -0.310719 -0.445367
C 2.625409 -0.888971 0.842497
C 0.871665 0.642159 1.575573
C -1.967957 0.840889 -0.054211
C 1.790463 -0.300163 1.883510
C 3.376435 -0.881418 -1.478026
C 3.401038 -2.038592 1.078001
C -2.128819 -0.167369 -1.012403
C -2.850311 0.914075 1.041146
C 2.751941 2.115180 -0.580711
C 4.139110 -2.024671 -1.232909
C 4.152654 -2.598000 0.045433
C -3.143895 -1.114638 -0.891058
C -3.868218 -0.012517 1.190076
C -4.006728 -1.030164 0.214899
C -5.301543 -2.965585 -0.444926
H 1.405600 0.960669 -1.751789
H 0.190475 1.071615 2.319835
H 1.920956 -0.654025 2.902194
H 3.377890 -0.430939 -2.470231
H 3.413056 -2.488244 2.068924
H -1.454805 -0.215357 -1.876049
H -2.733453 1.718497 1.780190
H 4.728918 -2.466760 -2.033362
H 4.755675 -3.485908 0.232904
H -3.255949 -1.891373 -1.640714
H -4.562692 0.023315 2.028074
H -5.561190 -2.571245 -1.431613
H -6.167827 -3.452100 0.025130
H -4.443743 -3.643132 -0.482520


%chk=000257529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257529

0 1
S -1.463490 -1.864430 1.455149
O -0.754242 -1.771726 -0.234385
O -0.800692 -0.675668 2.411047
O -6.804341 0.644748 0.028773
N 1.779030 -1.065617 0.022332
N 2.464242 -3.054098 -2.760367
C 2.826279 -1.328783 -0.795766
C 4.120486 -0.711756 -0.635213
C 4.274744 0.227247 0.457516
C 1.932643 -0.172292 1.063339
C -3.115643 -1.118412 0.948289
C 3.146160 0.476195 1.301270
C 5.231207 -0.986707 -1.496045
C 5.544109 0.864169 0.651078
C -3.836322 -1.655963 -0.131567
C -3.593409 -0.025563 1.697813
C 2.608691 -2.274645 -1.866381
C 6.454931 -0.350239 -1.280001
C 6.612003 0.579797 -0.201357
C -5.083689 -1.088777 -0.476702
C -4.835278 0.539355 1.359151
C -5.582624 0.006715 0.276123
C -7.619427 0.150625 -1.084734
H 0.287328 -1.585203 -0.154275
H 1.038353 -0.036127 1.689227
H 3.230318 1.175799 2.138896
H 5.110852 -1.696778 -2.321317
H 5.661589 1.574231 1.477176
H -3.422567 -2.478986 -0.722813
H -2.977838 0.378127 2.509740
H 7.304397 -0.560133 -1.938141
H 7.580548 1.067884 -0.049597
H -5.641124 -1.496522 -1.324650
H -5.245028 1.390382 1.910968
H -7.085396 0.252472 -2.049255
H -8.515673 0.787755 -1.087853
H -7.912528 -0.905977 -0.930466


