%chk=000258925.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258925

0 1
S -0.851343 -0.570676 -2.919017
P -0.875229 0.286496 -1.187936
N 0.321047 -0.241686 0.013203
N -0.414979 2.003566 -1.208967
C 0.891501 -1.626579 -0.082167
C 2.166080 -1.700345 -0.946710
C 1.150570 -2.145066 1.349558
C 2.705562 -3.136314 -0.972799
C 1.685323 -3.581089 1.303336
C 2.953034 -3.675073 0.442838
C 1.148979 0.895672 0.286857
C 0.752747 2.105615 -0.378832
C -2.481327 0.220811 -0.306966
C 2.224002 0.925994 1.175889
C 1.437837 3.297376 -0.151937
C -2.599894 0.858531 0.929857
C -3.554673 -0.457901 -0.884111
C 2.900608 2.132293 1.399571
C 2.516355 3.302298 0.743789
C -3.825313 0.811765 1.604537
C -4.776979 -0.500117 -0.201534
C -4.910069 0.133075 1.038255
H 0.105157 -2.285130 -0.547860
H 2.940471 -1.011496 -0.561067
H 1.950958 -1.366959 -1.981893
H 0.217380 -2.095228 1.941394
H 1.876164 -1.487143 1.873243
H 3.643336 -3.169424 -1.559107
H 1.991507 -3.793847 -1.506977
H 0.908540 -4.261665 0.903567
H 1.897856 -3.933295 2.330211
H 3.296891 -4.724916 0.391345
H 3.773671 -3.107010 0.921222
H -0.347612 2.486481 -2.121578
H 2.528878 0.012992 1.695771
H 1.135743 4.212086 -0.657835
H -1.761043 1.394347 1.384150
H -3.472411 -0.958074 -1.856194
H 3.738083 2.150569 2.095732
H 3.054256 4.230988 0.926216
H -3.933965 1.304640 2.568739
H -5.623834 -1.025747 -0.639228
H -5.863367 0.098683 1.565736


%chk=000258925-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258925

0 1
S -0.835076 -0.282049 -3.248294
P -0.783329 0.473420 -1.300255
N 0.569648 0.007469 -0.226734
N -0.377376 2.167242 -1.026768
C 0.928468 -1.431137 -0.119736
C 2.216761 -1.794185 -0.904468
C 0.972081 -1.926027 1.349386
C 2.485015 -3.316878 -0.833011
C 1.248501 -3.449041 1.396220
C 2.542892 -3.815589 0.631020
C 1.376195 1.112983 0.145787
C 0.829198 2.356744 -0.313844
C -2.361833 0.116804 -0.370892
C 2.582721 1.122932 0.880995
C 1.472272 3.580600 -0.057285
C -2.489452 0.567441 0.965406
C -3.407238 -0.591620 -1.002182
C 3.223367 2.358649 1.149390
C 2.679293 3.576373 0.686060
C -3.682679 0.304209 1.672677
C -4.598362 -0.852331 -0.287127
C -4.736737 -0.405078 1.047498
H 0.097072 -1.976288 -0.617518
H 3.084403 -1.246244 -0.490255
H 2.095048 -1.468869 -1.954539
H 0.010701 -1.687131 1.842095
H 1.763759 -1.393759 1.910146
H 3.429441 -3.553817 -1.359349
H 1.677606 -3.856484 -1.370032
H 0.392844 -3.991166 0.942688
H 1.314868 -3.783527 2.449467
H 2.700995 -4.911052 0.655214
H 3.413527 -3.353996 1.141844
H -0.816775 2.918259 -1.556270
H 3.026157 0.194820 1.248099
H 1.043785 4.520014 -0.424000
H -1.669747 1.116529 1.441932
H -3.273932 -0.924783 -2.038631
H 4.155756 2.360473 1.724214
H 3.187682 4.522804 0.897851
H -3.791265 0.650520 2.706198
H -5.414232 -1.400728 -0.770272
H -5.661522 -0.607009 1.599575


