%chk=000217755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217755

0 1
S -2.112375 -2.175428 -0.053819
O -1.247799 2.637603 0.051876
N 0.385681 -1.161153 0.163192
N -1.494215 0.368137 0.081572
C 2.606410 -0.373152 -0.421850
C 3.890006 0.370516 -0.084067
C 3.733969 -1.083383 0.310076
C 1.325284 -0.026965 0.327627
C 0.768286 1.325888 -0.187169
C -0.714132 1.549102 0.005590
C -0.871122 -0.919628 0.075220
C -2.982140 0.382005 0.164153
C -3.497745 -0.996579 -0.242995
H 2.422781 -0.653997 -1.467446
H 3.889071 1.137168 0.686546
H 4.573783 0.640627 -0.885802
H 4.301992 -1.851021 -0.211552
H 3.613545 -1.351137 1.357754
H 1.531942 0.063611 1.431022
H 0.980949 1.439348 -1.275470
H 1.324138 2.162096 0.288910
H -3.376215 1.188504 -0.497868
H -3.285263 0.641140 1.205585
H -4.338845 -1.328658 0.392773
H -3.848785 -1.016144 -1.291959


%chk=000217755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217755

0 1
S -2.164653 -2.242247 -0.064269
O -1.264848 2.670804 0.030797
N 0.400673 -1.189393 -0.024509
N -1.481657 0.351371 0.118637
C 2.679673 -0.331003 -0.431514
C 3.922897 0.397512 0.103201
C 3.708541 -1.097199 0.400972
C 1.312202 -0.009278 0.150048
C 0.712640 1.274190 -0.487085
C -0.738058 1.529572 -0.079797
C -0.865451 -0.937324 0.004896
C -2.930287 0.356692 0.414093
C -3.511949 -0.909801 -0.245932
H 2.653251 -0.554641 -1.504753
H 3.788376 1.105123 0.928866
H 4.705803 0.681961 -0.605115
H 4.345293 -1.825493 -0.108238
H 3.425389 -1.383815 1.418486
H 1.426350 0.152806 1.245652
H 0.740058 1.175387 -1.591920
H 1.305295 2.164739 -0.223264
H -3.372936 1.282787 0.012060
H -3.089832 0.338956 1.508508
H -4.414741 -1.266582 0.270372
H -3.712829 -0.766624 -1.318292


