%chk=000245702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245702

0 1
S 0.049273 -0.073226 1.956320
N 1.989609 -0.261873 0.096967
C 2.651842 -1.537613 0.533188
C 2.826118 0.486337 -0.901984
C 1.610788 0.582070 1.247708
C 2.585546 -2.571606 -0.591452
C 1.983371 1.537235 -1.624297
C -1.196339 0.294356 0.765135
C -2.304489 1.026451 1.200272
C -1.110484 -0.188634 -0.541427
C -3.349518 1.274240 0.304173
C -2.156118 0.073988 -1.433206
C -3.274137 0.801073 -1.010797
H 3.704722 -1.383922 0.852914
H 2.101544 -1.935438 1.417592
H 3.720219 0.959393 -0.442295
H 3.204137 -0.251877 -1.646295
H 2.328734 0.585463 2.095459
H 1.450732 1.635416 0.933267
H 1.551203 -2.706193 -0.937072
H 3.180086 -2.274929 -1.462710
H 2.951354 -3.545160 -0.248554
H 1.043826 1.102609 -1.994822
H 1.707695 2.370976 -0.968369
H 2.522572 1.951206 -2.482418
H -2.359973 1.401323 2.222324
H -0.233840 -0.759826 -0.863610
H -4.220996 1.838184 0.630629
H -2.100670 -0.294343 -2.455558
H -4.088208 0.998519 -1.705682


%chk=000245702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245702

0 1
S 0.020814 -0.114301 2.048044
N 2.083281 -0.264753 0.075205
C 2.685532 -1.548925 0.524330
C 2.908417 0.489268 -0.913111
C 1.604416 0.552962 1.184185
C 2.678029 -2.640948 -0.560921
C 2.105175 1.495364 -1.759451
C -1.290989 0.303479 0.822507
C -2.447766 0.976994 1.285982
C -1.187929 -0.083757 -0.536188
C -3.505215 1.256712 0.389580
C -2.239973 0.221717 -1.429969
C -3.402919 0.884898 -0.971416
H 3.726048 -1.393712 0.905397
H 2.076616 -1.900428 1.378298
H 3.760115 1.014571 -0.412044
H 3.359266 -0.256004 -1.591841
H 2.311175 0.613734 2.043505
H 1.369543 1.570199 0.838582
H 1.647449 -2.815993 -0.916149
H 3.303958 -2.377920 -1.432831
H 3.069904 -3.587881 -0.145977
H 1.283610 0.985458 -2.290937
H 1.662019 2.303400 -1.150532
H 2.768315 1.969455 -2.506619
H -2.513939 1.282015 2.335797
H -0.287861 -0.606869 -0.874219
H -4.400812 1.772606 0.754070
H -2.156570 -0.074284 -2.482241
H -4.221109 1.107144 -1.665636


