%chk=000184700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184700

0 1
S 5.759340 -0.236414 0.052394
O 6.382636 0.656379 1.345597
O 5.994403 0.558273 -1.119953
O 6.343745 -1.542648 0.166335
O -0.653751 2.101953 -0.187941
N 0.821074 0.066310 -1.403091
N -0.552874 0.008985 -1.070691
C 3.149656 -0.090064 -0.636069
C 4.089505 -0.225359 0.560340
C 1.687730 -0.001712 -0.168806
C -2.694654 0.819256 -0.219929
C -1.244264 1.068409 -0.458418
C -5.435748 0.444514 0.233958
C -3.146067 -0.344057 0.416782
C -3.612642 1.804855 -0.615329
C -4.510625 -0.530967 0.641668
C -4.975736 1.615040 -0.395088
C -6.896754 0.254336 0.471326
H 3.414422 0.810189 -1.235940
H 3.260569 -0.954879 -1.326877
H 3.838502 -1.140660 1.142812
H 3.902245 0.601505 1.287320
H 1.410519 -0.908017 0.411134
H 1.536313 0.871636 0.504922
H 1.008998 0.972900 -1.882082
H -0.989123 -0.870779 -1.346376
H -2.435662 -1.100599 0.750190
H -3.251601 2.721157 -1.088483
H -4.856552 -1.435296 1.139064
H -5.685951 2.379770 -0.705887
H 7.333294 0.822971 1.352250
H -7.276955 0.986268 1.200634
H -7.478371 0.389538 -0.452462
H -7.142322 -0.742492 0.860899


%chk=000184700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184700

0 1
S 5.925162 0.025638 0.012660
O 6.581914 0.506069 1.691898
O 6.227229 1.200326 -1.057249
O 6.365112 -1.493251 -0.331140
O -0.704067 1.995720 -0.729958
N 0.813042 -0.268835 -1.311953
N -0.568999 -0.305825 -0.962272
C 3.163177 -0.107751 -0.588452
C 4.095371 0.095133 0.604722
C 1.692279 -0.096523 -0.113907
C -2.735885 0.694564 -0.352136
C -1.281233 0.862232 -0.679468
C -5.526863 0.509408 0.248016
C -3.290977 -0.520025 0.126853
C -3.584322 1.820720 -0.509901
C -4.668926 -0.606704 0.420600
C -4.957390 1.725682 -0.218498
C -7.008222 0.419590 0.565404
H 3.324248 0.701729 -1.326903
H 3.369160 -1.070227 -1.091310
H 4.056744 -0.706053 1.359363
H 4.025854 1.089262 1.073109
H 1.503495 -0.948316 0.563545
H 1.464298 0.843129 0.434257
H 0.952717 0.524551 -1.962767
H -1.039125 -1.194269 -1.136367
H -2.653440 -1.392779 0.312850
H -3.139855 2.759092 -0.857554
H -5.082922 -1.549161 0.797830
H -5.601170 2.603687 -0.350823
H 7.580658 0.505046 1.647000
H -7.282208 1.107029 1.387832
H -7.622811 0.701937 -0.309600
H -7.298749 -0.600526 0.868522


