%chk=000206253.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206253

0 1
S 0.473380 1.720379 0.249180
O 0.532879 2.116299 1.637064
O 0.636147 2.731979 -0.779292
N -1.082576 1.005327 -0.030844
N -0.902017 -0.925226 1.457900
C 1.552421 0.413896 -0.043928
C -1.569509 -0.138164 0.671068
C 1.496864 -0.725419 0.770846
C -3.026451 -0.521830 0.466732
C 0.488045 -0.796809 1.894018
C -3.236953 -1.246319 -0.870334
C -2.003471 1.778960 -0.901261
C 2.483569 0.495179 -1.084351
C 2.384662 -1.785224 0.538969
C 3.369093 -0.560023 -1.312608
C 3.316328 -1.698497 -0.498820
C -4.694279 -1.653110 -1.061852
H -3.679145 0.368690 0.548439
H -3.344335 -1.189892 1.301598
H 0.670367 -1.700455 2.531221
H 0.618020 0.077222 2.592303
H -2.584238 -2.142524 -0.910256
H -2.912020 -0.592687 -1.708887
H -2.775115 2.304154 -0.314127
H -2.503180 1.112690 -1.631509
H -1.445442 2.539905 -1.484915
H 2.517444 1.388344 -1.720312
H 2.342764 -2.678309 1.161566
H 4.096546 -0.498152 -2.120148
H -5.365257 -0.786775 -1.055645
H -5.031317 -2.333586 -0.270183
H -4.836944 -2.171886 -2.017213
H 4.006419 -2.525036 -0.677419


%chk=000206253-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206253

0 1
S 0.528992 1.855566 0.307819
O 0.644044 2.358172 1.849900
O 0.729119 2.940963 -0.888109
N -1.164897 1.047298 -0.047209
N -0.948606 -0.901595 1.479317
C 1.635612 0.371857 -0.042989
C -1.604064 -0.090984 0.686762
C 1.488315 -0.750103 0.794082
C -3.061145 -0.488714 0.403189
C 0.460630 -0.780584 1.922779
C -3.191487 -1.373832 -0.865549
C -2.060652 1.961875 -0.782822
C 2.535174 0.478704 -1.110813
C 2.327566 -1.853093 0.498401
C 3.363115 -0.638418 -1.372879
C 3.255528 -1.796442 -0.568151
C -4.648723 -1.821719 -1.106959
H -3.715551 0.397207 0.315427
H -3.390050 -1.068298 1.281640
H 0.666053 -1.660983 2.554794
H 0.589124 0.122344 2.556419
H -2.537964 -2.257210 -0.737137
H -2.815420 -0.829056 -1.754436
H -2.776825 2.484575 -0.121848
H -2.610161 1.400113 -1.557382
H -1.433062 2.713574 -1.295158
H 2.577954 1.392707 -1.711485
H 2.247844 -2.755964 1.114171
H 4.080435 -0.601172 -2.198771
H -5.316475 -0.952112 -1.256275
H -5.033706 -2.396967 -0.244453
H -4.725071 -2.464293 -2.002773
H 3.897050 -2.660312 -0.772504


