%chk=000220811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220811

0 1
S 0.828140 0.098609 0.624470
S -0.084017 -1.319650 -1.854983
O -4.127611 0.957077 0.227445
N -1.695271 -0.507394 0.087201
C 2.405972 -0.338546 -0.209338
C 2.774823 0.695349 -1.289279
C -2.888472 -0.943313 -0.697576
C -2.084965 0.201410 1.338442
C 3.970067 1.494766 -0.710769
C -3.770947 0.278537 -0.995440
C -2.981835 1.399987 0.978772
C 3.429990 -0.174121 0.880633
C 4.281226 0.824707 0.604496
C -0.445116 -0.590251 -0.401750
H 2.348651 -1.376301 -0.609293
H 1.934627 1.358744 -1.555014
H 3.053337 0.183764 -2.228625
H -3.445351 -1.695032 -0.092519
H -2.594531 -1.454516 -1.647131
H -1.213465 0.533990 1.942396
H -2.648182 -0.518455 1.980289
H 3.713980 2.559245 -0.563312
H 4.839033 1.471842 -1.391189
H -3.275355 0.992404 -1.677303
H -4.757880 -0.010898 -1.400718
H -3.444771 1.855112 1.873493
H -2.436979 2.167011 0.400273
H 3.430609 -0.822808 1.741915
H 5.113994 1.159132 1.201718


%chk=000220811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220811

0 1
S 0.843525 0.134986 0.686093
S -0.077011 -1.454034 -1.852645
O -4.294727 0.929527 0.275177
N -1.740100 -0.418590 0.057339
C 2.473228 -0.361458 -0.233040
C 2.894876 0.669844 -1.314511
C -2.931670 -0.927568 -0.671324
C -2.116613 0.302140 1.301202
C 3.949738 1.589058 -0.625763
C -3.897850 0.235093 -0.963946
C -3.102369 1.441631 0.965850
C 3.585231 -0.305876 0.789140
C 4.398467 0.765083 0.572941
C -0.459530 -0.611254 -0.408562
H 2.230443 -1.355909 -0.643928
H 2.035688 1.215759 -1.733876
H 3.368965 0.113072 -2.144129
H -3.432641 -1.683933 -0.035570
H -2.589810 -1.408504 -1.602860
H -1.223288 0.709737 1.799454
H -2.602088 -0.418588 1.988270
H 3.511071 2.551361 -0.291605
H 4.787226 1.840964 -1.302848
H -3.420114 0.953821 -1.663240
H -4.835550 -0.140364 -1.404522
H -3.474629 1.915665 1.888780
H -2.593491 2.202938 0.336260
H 3.675604 -1.031031 1.602589
H 5.267119 1.026831 1.186577


