%chk=000254318.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000254318

0 1
S -1.817754 -1.035387 0.000488
O 3.793328 -2.585569 0.001662
O 5.020030 1.871452 -0.000028
N 2.760651 1.437565 -0.000136
N 4.411308 -0.363669 0.000753
N 0.861165 -1.602736 0.000935
N 0.376642 0.644284 -0.000130
N -6.830217 -0.226056 -0.000032
C 2.087999 -0.911819 0.000636
C 1.760237 0.472958 0.000062
C 3.437846 -1.425367 0.000883
C 4.137281 1.035901 0.000118
C -0.126348 -0.634021 0.000423
C 2.414560 2.879420 -0.001070
C 5.854983 -0.731503 0.001326
C -2.603707 0.608177 0.000231
C -4.066166 0.316274 0.000142
C -4.765777 0.178283 1.208586
C -4.765514 0.177714 -1.208391
C -6.142797 -0.091537 1.163832
C -6.142543 -0.092078 -1.163812
H 0.774272 -2.606208 0.001320
H 1.821352 3.129831 -0.898405
H 3.337478 3.491910 0.000020
H 1.818878 3.130327 0.894494
H 5.963476 -1.832939 0.001522
H 6.355597 -0.323022 0.896266
H 6.356235 -0.323277 -0.893374
H -2.274797 1.197027 -0.882980
H -2.274939 1.197235 0.883349
H -4.256552 0.274874 2.165116
H -4.256077 0.273854 -2.164854
H -6.728541 -0.206655 2.084263
H -6.728086 -0.207642 -2.084314


%chk=000254318-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000254318

0 1
S -1.781731 -1.310367 0.001156
O 3.959375 -2.629720 0.001547
O 4.973955 1.985827 -0.000242
N 2.705467 1.381730 -0.000063
N 4.448445 -0.299190 0.000534
N 0.986161 -1.728040 0.001303
N 0.395291 0.475436 0.000377
N -6.915645 0.054688 -0.000514
C 2.181296 -0.992155 0.000890
C 1.781610 0.350320 0.000377
C 3.549436 -1.427525 0.000994
C 4.092829 1.079123 -0.000077
C -0.052250 -0.810358 0.000913
C 2.266688 2.790259 -0.000598
C 5.902921 -0.579759 0.000711
C -2.562236 0.445366 0.000455
C -4.063308 0.304543 0.000126
C -4.795434 0.238322 1.212563
C -4.794801 0.237311 -1.212639
C -6.202427 0.116842 1.164032
C -6.201818 0.115873 -1.164741
H 0.927850 -2.746307 0.001755
H 1.659808 2.998237 -0.897864
H 3.169528 3.417915 0.000049
H 1.658300 2.998358 0.895605
H 6.023712 -1.672857 0.001114
H 6.373369 -0.137061 0.893777
H 6.373450 -0.137691 -0.892622
H -2.175277 0.950509 -0.896504
H -2.175727 0.951047 0.897305
H -4.281506 0.282863 2.178973
H -4.280365 0.281037 -2.178816
H -6.792276 0.067379 2.086135
H -6.791186 0.065647 -2.087109


