%chk=000259517.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259517

0 1
S -0.661139 0.026567 -0.785217
N 5.747617 0.329710 -0.033353
C 1.571069 0.074528 0.613141
C 0.107745 0.001026 0.879142
C 2.216882 1.320224 0.523093
C 2.323836 -1.097570 0.438394
C 4.338826 0.212632 0.105342
C -2.379386 -0.057177 -0.403143
C 3.582304 1.397650 0.270127
C 3.693048 -1.038525 0.186514
C -5.124662 -0.186470 0.080788
C -3.005563 -1.302862 -0.326242
C -3.105291 1.124952 -0.243285
C -4.379828 -1.366709 -0.082923
C -4.479412 1.059279 -0.000033
C -6.591632 -0.255642 0.354884
C 6.486449 -0.789267 -0.667001
H -0.182870 -0.919759 1.417308
H -0.260408 0.852389 1.480468
H 1.641368 2.238145 0.645760
H 1.833098 -2.069630 0.494861
H 4.064887 2.369171 0.209345
H 4.255328 -1.959460 0.063008
H -2.432096 -2.221183 -0.458968
H -2.609298 2.094047 -0.311548
H -4.873139 -2.334281 -0.022369
H -5.050246 1.976754 0.124956
H 6.057969 1.237828 -0.384588
H -7.132347 0.613627 -0.043150
H -7.057401 -1.148858 -0.082756
H -6.782943 -0.288156 1.438116
H 6.415129 -1.690233 -0.031488
H 7.554497 -0.525198 -0.735215
H 6.123908 -1.049851 -1.674666


%chk=000259517-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259517

0 1
S -0.769474 0.129290 -1.156912
N 5.832987 0.316777 -0.122332
C 1.602432 0.078316 0.406593
C 0.112732 0.005151 0.577420
C 2.281824 1.327697 0.410227
C 2.379862 -1.091929 0.212257
C 4.451190 0.222116 0.046542
C -2.525330 0.002595 -0.602850
C 3.673162 1.405715 0.237731
C 3.776543 -1.035200 0.037039
C -5.260209 -0.192676 0.204984
C -3.151026 -1.262454 -0.495696
C -3.270346 1.170499 -0.312162
C -4.503390 -1.354917 -0.096572
C -4.622640 1.069798 0.085293
C -6.705419 -0.297506 0.661203
C 6.706890 -0.833172 -0.332803
H -0.219134 -0.952086 1.010530
H -0.289357 0.839949 1.173836
H 1.705503 2.250847 0.547959
H 1.879481 -2.068249 0.195019
H 4.172583 2.383311 0.248564
H 4.340379 -1.961930 -0.107399
H -2.581069 -2.165881 -0.738497
H -2.792164 2.151047 -0.411021
H -4.977655 -2.341480 -0.024019
H -5.190562 1.983371 0.300905
H 6.248076 1.246153 -0.113429
H -7.293021 0.585564 0.353744
H -7.196974 -1.196214 0.248807
H -6.769430 -0.365600 1.764924
H 6.668963 -1.543463 0.518628
H 7.747932 -0.484807 -0.435469
H 6.442958 -1.392934 -1.253743


