%chk=000226094.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226094

0 1
S 0.456412 0.478910 -0.406324
O 4.069620 -0.138429 0.477623
O 0.829347 -0.625594 2.775262
O 2.819077 1.021108 -0.868515
O 1.925123 1.197707 2.369409
O -2.591865 1.955216 -2.301040
O -0.541200 1.624140 -1.642703
N 3.005030 0.234610 0.036971
N 1.490156 0.110565 2.060685
N -1.785925 1.371294 -1.613306
C 1.730114 -0.376939 0.641109
C 1.805935 -1.896085 0.562467
C 1.794351 -2.435126 -0.860222
C -1.092742 -0.264059 0.031550
C -2.154787 0.319815 -0.689845
C -1.368649 -1.282339 0.943906
C -3.488774 -0.098014 -0.509522
C -2.687337 -1.697084 1.127890
C -3.744823 -1.111228 0.403885
H 0.960073 -2.337508 1.146122
H 2.729236 -2.243123 1.085931
H 2.637434 -2.063112 -1.457816
H 0.875753 -2.177314 -1.402610
H 1.870734 -3.531257 -0.858752
H -0.563223 -1.748966 1.530932
H -4.288996 0.378500 -1.083750
H -2.907458 -2.489072 1.849463
H -4.767116 -1.455316 0.568501


%chk=000226094-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226094

0 1
S 0.523262 0.792003 -0.153377
O 4.141866 -0.586158 0.794115
O 1.247621 -1.095272 3.015721
O 3.261107 1.017511 -0.569698
O 2.243459 0.929943 2.671653
O -2.875926 1.121236 -2.902788
O -0.973407 1.927602 -1.932714
N 3.169969 0.063044 0.269300
N 1.758662 -0.181047 2.268558
N -2.010179 1.141115 -1.948796
C 1.736152 -0.433585 0.718358
C 1.608859 -1.917858 0.371359
C 1.804281 -2.207616 -1.132832
C -1.130446 0.001603 0.127849
C -2.189924 0.241595 -0.797893
C -1.426088 -0.813808 1.249092
C -3.468525 -0.344935 -0.644361
C -2.702594 -1.391974 1.411011
C -3.727495 -1.170268 0.461226
H 0.620505 -2.275736 0.700133
H 2.364081 -2.461102 0.968768
H 2.819310 -1.942755 -1.477586
H 1.075538 -1.659763 -1.754310
H 1.664334 -3.287475 -1.310685
H -0.678235 -0.993753 2.024711
H -4.229456 -0.124641 -1.398087
H -2.894726 -2.008153 2.295375
H -4.716506 -1.618454 0.593196


