%chk=000223982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223982

0 1
S -0.779386 -1.438479 0.494850
O -1.272094 2.375700 0.086364
N -2.511267 0.438785 -0.221180
N -3.342612 -1.796405 -0.387312
C 1.060155 0.471206 -0.262270
C -0.168799 0.274095 0.609104
C 2.302286 -0.224014 0.309002
C 3.544390 0.076685 -0.542656
C -1.345537 1.178525 0.135144
C 4.787431 -0.612556 0.014385
C -2.394545 -0.867870 -0.103225
H 1.253527 1.566033 -0.355794
H 0.870639 0.121536 -1.298433
H 0.050042 0.509477 1.678030
H 2.478380 0.103270 1.352218
H 2.142810 -1.319039 0.357977
H 3.714047 1.170717 -0.590657
H 3.373384 -0.248785 -1.587829
H 4.669963 -1.701941 0.040025
H 5.010537 -0.282502 1.035518
H 5.668948 -0.393271 -0.599226
H -3.184367 -2.779726 -0.242872
H -4.259327 -1.507841 -0.706361


%chk=000223982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223982

0 1
S -0.796759 -1.530269 0.596829
O -1.290151 2.394729 0.041958
N -2.546333 0.409367 -0.266310
N -3.379478 -1.796979 -0.379190
C 1.062839 0.495322 -0.241986
C -0.198857 0.277028 0.615310
C 2.321128 -0.210874 0.305527
C 3.578556 0.076734 -0.546432
C -1.402632 1.146702 0.106634
C 4.842199 -0.623772 -0.002355
C -2.404779 -0.893260 -0.087616
H 1.232271 1.590420 -0.272910
H 0.862540 0.167848 -1.280504
H 0.001175 0.538670 1.669632
H 2.503578 0.117649 1.350255
H 2.148508 -1.306592 0.344108
H 3.748616 1.171785 -0.586110
H 3.394052 -0.247799 -1.590577
H 4.710068 -1.722080 0.017495
H 5.064999 -0.294033 1.029924
H 5.726984 -0.401268 -0.626279
H -3.246481 -2.794823 -0.231430
H -4.263440 -1.450904 -0.751172


