%chk=000243427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243427

0 1
S -2.128529 1.072953 0.279705
O -3.118925 1.258085 1.330908
O -2.295327 1.797062 -0.963662
O 0.733486 3.589468 0.686316
N 0.475251 0.862692 0.390452
N 1.417952 0.493955 1.121491
C -0.591709 1.626549 1.055655
C -1.947547 -0.614189 -0.022190
C -0.367585 3.141574 0.872463
C -2.473669 -1.540180 0.886672
C -1.308299 -1.056561 -1.185114
C -1.598863 3.973601 0.983421
C -2.344471 -2.909004 0.641735
C -1.177865 -2.427359 -1.431012
C -1.694125 -3.351180 -0.517042
C 2.503625 -0.236258 0.507509
C 3.030566 0.084172 -0.755477
C 3.084518 -1.247702 1.295437
C 4.142904 -0.616096 -1.228312
C 4.189191 -1.943085 0.802087
C 4.718992 -1.629195 -0.455346
H -0.652064 1.469868 2.171472
H -2.996708 -1.191925 1.785389
H -0.909067 -0.332655 -1.904803
H -2.136247 4.006170 0.011692
H -2.328481 3.616078 1.728127
H -1.355553 5.018037 1.231783
H -2.752820 -3.630453 1.347938
H -0.676319 -2.772202 -2.334305
H -1.592872 -4.420588 -0.708263
H 2.580655 0.880375 -1.351170
H 2.674972 -1.477850 2.279067
H 4.561987 -0.368862 -2.203447
H 4.644627 -2.730121 1.402362
H 5.585316 -2.172873 -0.829939


%chk=000243427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243427

0 1
S -1.667408 0.340323 1.313221
O -0.972722 -0.665574 2.399317
O -2.998934 1.226909 1.680741
O -0.465141 2.217863 -1.560724
N 1.049797 0.925230 0.521345
N 1.757710 0.689604 1.616843
C -0.027897 1.789062 0.791374
C -2.042678 -0.658771 -0.243572
C -0.642135 2.556322 -0.358738
C -1.241416 -1.780290 -0.511479
C -3.116522 -0.241159 -1.045144
C -1.512339 3.727055 0.063101
C -1.547199 -2.532023 -1.669154
C -3.403134 -1.008356 -2.197590
C -2.619566 -2.144628 -2.507553
C 2.819354 -0.241390 1.436550
C 3.159673 -0.859469 0.195367
C 3.563158 -0.536667 2.612624
C 4.235776 -1.761967 0.148966
C 4.636830 -1.447242 2.555282
C 4.975372 -2.060063 1.324771
H -0.055849 2.274227 1.786391
H -0.429703 -2.064673 0.165214
H -3.713669 0.633350 -0.768041
H -2.319876 3.365204 0.732194
H -0.922850 4.466320 0.637970
H -1.947940 4.213379 -0.822693
H -0.949471 -3.416589 -1.912248
H -4.233367 -0.716079 -2.848504
H -2.846992 -2.732236 -3.403522
H 2.577136 -0.605779 -0.695946
H 3.269363 -0.047350 3.546747
H 4.509864 -2.236913 -0.799415
H 5.207362 -1.679741 3.460339
H 5.812410 -2.765587 1.277565


