%chk=000244522.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244522

0 1
S -2.794418 -3.325608 -0.499528
O -2.661161 2.483259 0.017140
N -0.354763 1.155162 -0.055685
N -1.530050 -0.951286 -0.265429
N -3.964498 -0.980243 -0.311400
N 6.220365 -0.597700 -0.106595
C 0.992345 0.706124 -0.074396
C -1.531451 0.403754 -0.144014
C -2.794783 1.116051 -0.102738
C 1.978605 1.718692 0.044204
C 1.380749 -0.640197 -0.201077
C 3.325487 1.378376 0.035363
C 2.733196 -0.970850 -0.208804
C 3.712189 0.031030 -0.091085
C -3.975983 0.383868 -0.189773
C -2.751215 -1.576841 -0.343079
C -3.886731 3.252520 0.111566
C 5.098256 -0.316356 -0.099654
C -1.063214 -3.817557 -0.511665
H -0.496195 2.172126 0.037188
H 1.691729 2.764316 0.142589
H 0.632421 -1.433411 -0.294018
H 4.086547 2.156086 0.126585
H 3.035316 -2.015737 -0.307098
H -4.966766 0.849567 -0.166261
H -4.473198 3.145153 -0.805819
H -3.496471 4.274315 0.212043
H -4.453069 2.959202 1.000461
H -0.545735 -3.527950 0.412532
H -0.516384 -3.379732 -1.357170
H -1.031220 -4.911832 -0.602582


%chk=000244522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244522

0 1
S -2.878427 -3.405066 -0.512644
O -2.627206 2.495919 0.040976
N -0.370392 1.096578 -0.062294
N -1.562837 -0.992967 -0.268953
N -3.999629 -0.981127 -0.297260
N 6.319155 -0.545198 -0.087942
C 0.979082 0.693009 -0.075768
C -1.546503 0.361340 -0.143104
C -2.777626 1.107491 -0.088383
C 1.963381 1.720545 0.021537
C 1.398766 -0.663542 -0.177697
C 3.329345 1.406891 0.018595
C 2.769394 -0.971402 -0.179652
C 3.753423 0.051161 -0.082222
C -3.977691 0.385712 -0.169516
C -2.788711 -1.594796 -0.340303
C -3.852504 3.304888 0.112064
C 5.152494 -0.274877 -0.085491
C -1.056633 -3.857411 -0.540866
H -0.542610 2.104347 0.023974
H 1.649874 2.768879 0.099890
H 0.641324 -1.443846 -0.252827
H 4.076202 2.203046 0.093769
H 3.088787 -2.015632 -0.257558
H -4.954252 0.877979 -0.134989
H -4.448133 3.195079 -0.813469
H -3.508180 4.343384 0.216848
H -4.461165 3.017549 0.989830
H -0.578519 -3.559585 0.403466
H -0.560245 -3.371444 -1.393160
H -1.030063 -4.952605 -0.655049


