%chk=000224941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224941

0 1
S -1.188791 -1.015009 -1.847124
O -1.849671 -2.205814 -2.324325
O -0.738591 0.027145 -2.733102
N -2.170956 -0.291688 -0.662233
N 0.158706 -1.658115 -0.982626
C -2.787906 -1.191553 0.354002
C -1.755275 1.040527 -0.137023
C -3.990391 -0.494202 1.013007
C -2.953737 1.743600 0.522567
C -3.587190 0.861646 1.605623
C 1.247636 -0.913575 -0.449771
C 2.057742 -1.518513 0.535233
C 1.520029 0.402024 -0.868200
C 3.373111 0.519451 0.707298
C 3.109277 -0.801584 1.102575
C 2.572396 1.106308 -0.284944
C 4.506484 1.280475 1.314756
H -2.050792 -1.488316 1.133780
H -3.133115 -2.120142 -0.160312
H -1.386728 1.656962 -0.991825
H -0.921101 0.946189 0.595384
H -4.415748 -1.149993 1.794597
H -4.789672 -0.347783 0.257995
H -3.710778 1.984512 -0.251343
H -2.625744 2.709123 0.949672
H -4.472770 1.366118 2.035513
H -2.878770 0.717406 2.443410
H 0.245031 -2.679039 -0.894555
H 1.867440 -2.539876 0.854155
H 0.946341 0.869024 -1.675272
H 3.731616 -1.275399 1.860910
H 2.778461 2.124032 -0.616432
H 4.310536 2.360187 1.350297
H 4.720232 0.960542 2.342833
H 5.427990 1.136831 0.730881


%chk=000224941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224941

0 1
S -1.236041 -0.905372 -1.983817
O -2.072486 -2.167794 -2.555363
O -0.828406 0.370975 -2.890999
N -2.310560 -0.188364 -0.609549
N 0.493464 -1.755196 -1.475268
C -2.739856 -1.193615 0.390014
C -1.828444 1.092895 -0.036902
C -3.960351 -0.596814 1.137879
C -3.038177 1.735530 0.689467
C -3.607367 0.774689 1.759942
C 1.406603 -0.981382 -0.715665
C 1.793889 -1.347571 0.605746
C 2.002037 0.165459 -1.318368
C 3.377374 0.538457 0.698968
C 2.782773 -0.608935 1.286636
C 2.958714 0.912111 -0.609305
C 4.443964 1.333495 1.428852
H -1.932759 -1.420400 1.126184
H -3.022150 -2.119199 -0.140875
H -1.473356 1.731719 -0.862516
H -0.997768 0.940448 0.688257
H -4.284524 -1.313294 1.916647
H -4.790581 -0.481936 0.416620
H -3.816823 1.969344 -0.060088
H -2.710071 2.688203 1.147160
H -4.503381 1.218312 2.232555
H -2.855958 0.633390 2.564478
H 0.190649 -2.635486 -1.016262
H 1.334068 -2.222087 1.084725
H 1.699795 0.443578 -2.332389
H 3.089968 -0.918672 2.292728
H 3.405931 1.794379 -1.083259
H 4.241752 2.419344 1.383191
H 4.512516 1.043295 2.491271
H 5.440866 1.171993 0.974706


