%chk=000205955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205955

0 1
S -0.416444 -2.332319 0.535884
O 4.044138 -0.958133 -0.974187
N 0.332006 0.150851 0.817632
N -4.473644 0.240262 0.295691
N 4.699796 1.164071 -0.566975
C -0.884572 -0.624411 1.096284
C 1.436059 -0.496608 0.247893
C 1.296473 -1.941765 0.006247
C 2.438848 0.459687 0.055915
C 0.620920 1.519442 0.972547
C -2.083570 -0.193242 0.314592
C 1.917522 1.717410 0.513093
C -2.008210 0.128153 -1.050085
C 3.748077 0.144289 -0.524900
C -3.342878 -0.125515 0.948210
C -3.167698 0.507116 -1.728583
C -4.382225 0.551389 -1.023633
H -1.083244 -0.645524 2.200619
H 1.451610 -2.210413 -1.061752
H 2.030929 -2.543187 0.584926
H -0.085645 2.216799 1.381332
H 2.443170 2.651648 0.496836
H -1.051666 0.081437 -1.576254
H -3.464764 -0.372410 2.010278
H -3.133919 0.760188 -2.786534
H -5.319032 0.841763 -1.514801
H 4.548707 2.077958 -0.187417
H 5.613055 0.972965 -0.947658


%chk=000205955-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205955

0 1
S -0.381664 -2.474868 0.244808
O 4.261419 -1.063335 -0.587404
N 0.342237 0.086530 0.608548
N -4.500920 0.339516 0.463778
N 4.772537 1.197599 -0.461207
C -0.858421 -0.718842 0.900735
C 1.519609 -0.535987 0.218835
C 1.472375 -2.025509 0.070702
C 2.507443 0.455215 0.075580
C 0.545099 1.468447 0.729319
C -2.117064 -0.204036 0.241406
C 1.879593 1.721370 0.401977
C -2.146834 0.165396 -1.127026
C 3.889068 0.133332 -0.343152
C -3.316455 -0.096726 0.986534
C -3.357483 0.625078 -1.681852
C -4.505793 0.692675 -0.854596
H -1.002818 -0.801510 1.992722
H 1.827939 -2.358528 -0.915558
H 2.052315 -2.544350 0.850034
H -0.260579 2.139832 1.015766
H 2.338009 2.710478 0.394437
H -1.238692 0.086505 -1.734110
H -3.338022 -0.371446 2.049329
H -3.421745 0.921154 -2.733395
H -5.466446 1.038764 -1.252502
H 4.499528 2.159178 -0.272369
H 5.729564 0.995968 -0.746143


