%chk=000238678.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238678

0 1
S -3.423371 1.224028 0.703445
O 3.724243 -3.264718 -0.736330
O 1.720298 -2.898945 -0.025454
O 6.497311 2.229498 -0.561602
O 6.990340 0.193782 -1.107927
N 0.947462 -0.534432 0.670476
N 2.859016 -2.520280 -0.318270
N 0.062678 0.422598 1.135259
N 6.221466 1.049124 -0.701493
C 2.228910 -0.142208 0.333085
C 3.172730 -1.109793 -0.149732
C -5.745244 0.081284 0.298626
C -4.649686 0.020469 1.313563
C 4.858535 0.626473 -0.352442
C 4.482901 -0.701458 -0.487008
C 2.656122 1.221667 0.456007
C 3.930257 1.598553 0.124305
C -5.734570 -0.787074 -0.804862
C -6.789295 1.009185 0.443506
C -2.086059 1.107097 1.927097
C -6.762183 -0.728457 -1.749726
C -7.813340 1.062154 -0.505484
C -7.802921 0.194009 -1.601931
C -1.146019 0.050247 1.452746
H -4.209350 -0.990178 1.395130
H -5.002020 0.298051 2.325269
H 5.204882 -1.452382 -0.858820
H 1.934678 1.962722 0.820595
H 4.262534 2.641983 0.215550
H -4.924628 -1.503317 -0.930934
H -6.800608 1.692932 1.290811
H 0.661809 -1.538893 0.549688
H -1.609654 2.113794 1.986214
H -2.463304 0.888314 2.944417
H -6.750491 -1.402919 -2.605016
H -8.621115 1.783808 -0.390766
H -1.557360 -0.969813 1.392949
H -8.602052 0.237497 -2.339743


%chk=000238678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238678

0 1
S -3.417432 1.389786 0.479984
O 3.801250 -3.323303 -0.742788
O 1.683574 -2.848140 -0.053994
O 6.785750 2.186843 -0.382607
O 7.236704 0.023471 -0.966511
N 1.046254 -0.418295 0.640175
N 2.920905 -2.486590 -0.319826
N 0.176902 0.567215 1.097134
N 6.439064 0.951341 -0.551037
C 2.353122 -0.095886 0.346994
C 3.294995 -1.085958 -0.123512
C -5.877600 0.058504 0.214495
C -4.646136 0.041017 1.087758
C 5.043249 0.586966 -0.246956
C 4.632309 -0.739193 -0.416970
C 2.825152 1.249365 0.502326
C 4.143025 1.589849 0.212425
C -5.980880 -0.807834 -0.904220
C -6.945686 0.951070 0.492358
C -2.058599 1.193443 1.813938
C -7.130298 -0.788260 -1.724965
C -8.095366 0.972532 -0.327144
C -8.191000 0.101972 -1.438121
C -1.050048 0.183588 1.371994
H -4.128089 -0.930926 1.037482
H -4.882695 0.284245 2.137605
H 5.329397 -1.502803 -0.771340
H 2.109632 1.993738 0.855709
H 4.506316 2.614160 0.328922
H -5.158506 -1.496610 -1.132478
H -6.872164 1.630340 1.350232
H 0.782244 -1.416358 0.499087
H -1.597244 2.184069 1.943266
H -2.568262 0.897049 2.747061
H -7.198992 -1.464407 -2.584210
H -8.914331 1.664056 -0.100520
H -1.390283 -0.862900 1.253102
H -9.083331 0.117242 -2.073651


