%chk=000251578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251578

0 1
S -0.218446 -2.018358 0.527603
O -0.185766 -2.510631 1.883536
O 0.129043 -2.923283 -0.561056
O 6.220167 -0.653716 -0.441024
O -5.787920 1.838284 1.150127
N 0.893066 -0.699380 0.457059
N -5.396148 0.582661 -0.747772
C 2.867060 0.628762 0.140135
C 2.110858 -0.659138 0.041499
C 4.263717 0.643715 -0.060149
C -1.711131 -1.252064 0.178927
C 2.851975 -1.816848 -0.539313
C 2.204774 1.823475 0.447118
C 5.009408 -0.605674 -0.405348
C 4.976202 1.841284 0.058442
C -2.319118 -0.417264 1.126022
C -2.333740 -1.469401 -1.057934
C 4.171469 -1.797743 -0.731947
C -4.154967 -0.014633 -0.395384
C -3.533053 0.204884 0.848573
C -3.548054 -0.861484 -1.355348
C 2.923913 3.021092 0.555914
C 4.305997 3.031870 0.364676
C -6.158134 1.482111 0.054440
C -7.434265 1.926083 -0.598120
H 2.240839 -2.698771 -0.806961
H 1.122913 1.818498 0.609851
H -1.841905 -0.251437 2.099486
H -1.861443 -2.129773 -1.797774
H 6.060987 1.834421 -0.088496
H 4.723092 -2.649766 -1.140002
H -4.000059 0.857606 1.596054
H -4.019448 -1.042421 -2.317864
H 2.397395 3.945529 0.795498
H 4.866360 3.962318 0.454823
H -5.765522 0.330484 -1.668959
H -7.265668 2.467391 -1.539263
H -7.974692 2.618983 0.072006
H -8.119056 1.091433 -0.803576


%chk=000251578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251578

0 1
S -0.186926 -1.937028 0.113816
O -0.091443 -2.579322 1.608651
O 0.088134 -2.869691 -1.201943
O 6.436941 -0.868896 -0.057154
O -6.275545 1.312880 1.498236
N 0.923198 -0.340807 0.083601
N -5.625028 0.650980 -0.659858
C 3.080736 0.700285 0.069434
C 2.237696 -0.536579 0.037853
C 4.503281 0.593577 0.036944
C -1.848628 -1.111451 -0.099363
C 2.925893 -1.844096 -0.036501
C 2.479195 1.983206 0.137724
C 5.170349 -0.741267 -0.028939
C 5.299634 1.764951 0.071121
C -2.514611 -0.625952 1.036803
C -2.387124 -1.040452 -1.394570
C 4.289785 -1.933211 -0.063538
C -4.355051 0.065919 -0.421084
C -3.782162 -0.030209 0.879065
C -3.652547 -0.447599 -1.548730
C 3.280924 3.141264 0.170765
C 4.694512 3.034585 0.137022
C -6.514107 1.229483 0.261223
C -7.803975 1.743411 -0.374856
H 2.312623 -2.749262 -0.086126
H 1.387797 2.050616 0.165547
H -2.065396 -0.728393 2.029695
H -1.841507 -1.457551 -2.246555
H 6.387773 1.646853 0.046098
H 4.796781 -2.902787 -0.117036
H -4.332632 0.357948 1.737066
H -4.098317 -0.384027 -2.548974
H 2.808519 4.127829 0.224332
H 5.313405 3.937505 0.163755
H -5.933359 0.647234 -1.635526
H -7.598399 2.466904 -1.185291
H -8.402758 2.240800 0.401027
H -8.396959 0.911448 -0.798234


