%chk=000231723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231723

0 1
S -0.687081 -1.956355 -1.446173
O -1.603449 2.324717 0.973311
O -5.076661 -0.707010 0.815265
N -3.115101 -1.324048 -0.220629
N -3.324488 0.818571 0.901530
N 0.103746 0.400075 -0.556796
N 1.749259 -0.810843 -1.935635
C -1.824363 -0.981832 -0.541597
C -1.238759 0.225095 -0.173350
C -1.964733 1.239985 0.589502
C -3.932872 -0.403427 0.536791
C 0.555126 -0.627503 -1.234575
C 2.720980 0.325697 -1.928120
C -3.692208 -2.621751 -0.640207
C -4.171445 1.749924 1.699236
C 3.641180 0.291476 -0.733104
C 3.248616 0.892135 0.471351
C 4.886701 -0.346461 -0.822804
C 4.099825 0.854092 1.578998
C 5.734799 -0.380567 0.287628
C 5.342672 0.218823 1.489054
H 2.169067 1.296363 -1.975804
H 3.290610 0.251550 -2.884850
H 2.210321 -1.709946 -1.741446
H -3.694854 -2.714576 -1.740374
H -4.744620 -2.694731 -0.290251
H -3.130517 -3.463758 -0.199591
H -4.125502 1.488897 2.770056
H -5.224247 1.699652 1.369319
H -3.804642 2.786800 1.575387
H 2.274801 1.386252 0.545144
H 5.199872 -0.810566 -1.755762
H 3.792210 1.322175 2.513466
H 6.702944 -0.873067 0.216106
H 6.004712 0.192263 2.352724


%chk=000231723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231723

0 1
S -0.724267 -2.063578 -1.436561
O -1.607020 2.415232 0.817211
O -5.127057 -0.706017 0.921586
N -3.137164 -1.336230 -0.153008
N -3.359468 0.834774 0.848689
N 0.045009 0.436407 -0.689864
N 1.731886 -0.749842 -1.926247
C -1.856117 -0.977627 -0.533122
C -1.274232 0.260651 -0.251846
C -2.024287 1.270137 0.490618
C -3.949838 -0.412234 0.565529
C 0.510393 -0.620300 -1.317637
C 2.725890 0.356806 -1.896775
C -3.699263 -2.660986 -0.480884
C -4.212622 1.785023 1.600638
C 3.673101 0.299389 -0.701647
C 3.253818 0.776470 0.568236
C 4.978417 -0.235372 -0.842687
C 4.125692 0.706732 1.676960
C 5.851624 -0.304971 0.267138
C 5.425012 0.164718 1.530583
H 2.145784 1.294564 -1.890528
H 3.294733 0.306185 -2.843161
H 2.059640 -1.682176 -2.178037
H -3.724776 -2.806517 -1.575525
H -4.723187 -2.692331 -0.080215
H -3.095214 -3.460493 -0.016248
H -4.510904 1.342856 2.565188
H -5.125318 2.010584 1.025122
H -3.620414 2.697609 1.759430
H 2.247678 1.197567 0.676025
H 5.317999 -0.589683 -1.825068
H 3.795058 1.081093 2.652169
H 6.860271 -0.715930 0.146051
H 6.101041 0.115593 2.391689


