%chk=000261549.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261549

0 1
S 1.311113 -1.021027 -1.607231
S -1.346450 0.660292 -1.331504
O 1.705827 -0.576836 -2.905455
O 0.694277 -2.299816 -1.400255
O -1.478216 -0.190153 -2.492049
O -1.377807 2.088728 -1.485556
O 0.356739 1.540606 1.072981
N 0.280251 0.189321 -0.808155
C 2.615581 -0.787035 -0.472549
C 2.281085 0.176946 0.499522
C 0.897201 0.748133 0.336492
C -2.348979 0.094481 -0.071258
C 3.848463 -1.406108 -0.455380
C 3.175322 0.531129 1.496346
C -2.887439 0.920002 0.930077
C -2.645372 -1.284883 -0.075106
C 4.767923 -1.053768 0.557243
C 4.436450 -0.100593 1.515875
C -3.723974 0.346654 1.914136
C -2.594694 2.373356 0.993916
C -3.466937 -1.838798 0.897436
C -4.008947 -1.012946 1.897079
H 4.124222 -2.153550 -1.202490
H 2.909854 1.280217 2.245430
H -2.223827 -1.930339 -0.860093
H 5.746219 -1.536434 0.580660
H 5.154581 0.166889 2.293586
H -4.144497 0.981405 2.692623
H -1.523421 2.555243 1.228909
H -2.754917 2.891717 0.028085
H -3.181081 2.910349 1.748006
H -3.691129 -2.903799 0.887073
H -4.656219 -1.445986 2.662007


%chk=000261549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261549

0 1
S 1.392771 -1.156412 -1.723688
S -1.396334 0.751975 -1.434409
O 1.883981 -0.740723 -3.203091
O 0.670816 -2.584838 -1.485479
O -1.562431 -0.231180 -2.707111
O -1.450487 2.350958 -1.629614
O 0.490546 1.656025 1.053714
N 0.353089 0.238135 -0.826858
C 2.747769 -0.824300 -0.440677
C 2.354800 0.174508 0.465300
C 0.991697 0.784993 0.286185
C -2.477465 0.112418 -0.001958
C 3.981731 -1.479200 -0.406508
C 3.251971 0.549078 1.487873
C -2.982361 0.979845 0.996011
C -2.712483 -1.272656 -0.084242
C 4.874407 -1.091209 0.625857
C 4.511072 -0.089867 1.560271
C -3.799203 0.334802 1.968880
C -2.713219 2.466637 1.087619
C -3.523943 -1.861750 0.907438
C -4.064895 -1.050595 1.932113
H 4.253724 -2.249001 -1.134314
H 2.951120 1.326287 2.197446
H -2.284421 -1.865428 -0.899759
H 5.854504 -1.573712 0.695823
H 5.216716 0.193373 2.347616
H -4.225618 0.950056 2.768860
H -1.630114 2.659856 1.184526
H -3.047064 3.000171 0.181303
H -3.233321 2.890472 1.962185
H -3.728108 -2.936166 0.873899
H -4.698046 -1.499157 2.705190


