%chk=000279687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279687

0 1
S -0.390276 -1.955144 -0.433164
O -4.793323 -1.006597 0.132678
O -0.312606 -2.487312 -1.778083
O -0.060425 -2.785793 0.696246
O -0.278416 0.236932 1.685209
N -1.995500 -1.340202 -0.237213
C 0.564178 -0.440116 -0.444643
C -2.949961 -1.672786 -1.335666
C -2.609352 -1.563495 1.105733
C -4.204668 -0.799638 -1.166743
C -3.882811 -0.709795 1.211832
C 2.014772 -0.765146 -0.220777
C 0.087035 0.575762 0.583929
C 0.090715 2.000694 0.136917
C 2.937179 -0.585271 -1.263280
C 2.451692 -1.239092 1.026551
C 4.288613 -0.873301 -1.053280
C 3.803992 -1.522731 1.228038
C 1.225851 2.569009 -0.456731
C -1.058731 2.775498 0.349384
C 4.724900 -1.337767 0.191364
C 1.205578 3.911037 -0.844956
C -1.076765 4.114329 -0.050696
C 0.054451 4.681690 -0.646629
H 0.442547 0.013615 -1.469604
H -3.237866 -2.749148 -1.327893
H -2.466135 -1.476714 -2.319626
H -1.878460 -1.261080 1.896919
H -2.852232 -2.635862 1.281449
H -3.980070 0.273311 -1.294256
H -5.019013 -1.106171 -1.847299
H -4.482180 -0.967881 2.103360
H -3.655212 0.369977 1.202468
H 2.605326 -0.238943 -2.240745
H 1.728305 -1.408175 1.832431
H 5.002163 -0.739826 -1.865348
H 4.138369 -1.895603 2.196128
H 2.126835 1.970298 -0.604363
H -1.932386 2.330558 0.828934
H 5.778211 -1.561974 0.351452
H 2.088399 4.357772 -1.300703
H -1.970235 4.716930 0.108363
H 0.040715 5.727448 -0.953887


%chk=000279687-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279687

0 1
S -0.245132 -1.934480 -0.627062
O -4.769687 -0.737802 -0.025068
O -0.136200 -2.345965 -2.205903
O 0.029758 -3.048598 0.527166
O 0.078007 0.264024 1.734325
N -1.963169 -1.058799 -0.379478
C 1.034696 -0.290051 -0.419495
C -2.883744 -1.375050 -1.508324
C -2.573930 -1.432952 0.927874
C -4.115456 -0.458419 -1.309500
C -3.825407 -0.532051 1.080700
C 2.375744 -0.822941 -0.052457
C 0.324629 0.645608 0.546980
C -0.048077 2.024427 0.091642
C 3.319792 -1.056032 -1.093192
C 2.726708 -1.136981 1.290552
C 4.598121 -1.568153 -0.796433
C 4.007935 -1.648222 1.580200
C 0.304714 2.560387 -1.177295
C -0.774856 2.839402 1.005288
C 4.946844 -1.862420 0.543347
C -0.069366 3.876280 -1.525072
C -1.149908 4.149599 0.656185
C -0.799099 4.672770 -0.613010
H 0.973104 0.018417 -1.471659
H -3.210596 -2.436108 -1.507687
H -2.383932 -1.158852 -2.467369
H -1.858531 -1.228311 1.741705
H -2.871493 -2.500977 0.963940
H -3.797728 0.604409 -1.355644
H -4.873484 -0.660445 -2.083745
H -4.375198 -0.795758 1.998780
H -3.510309 0.531673 1.120560
H 3.042933 -0.841565 -2.132320
H 1.991425 -0.986597 2.085767
H 5.317571 -1.743652 -1.603352
H 4.273165 -1.890906 2.614825
H 0.879369 1.969861 -1.897979
H -1.025412 2.417040 1.983967
H 5.940062 -2.262739 0.775533
H 0.209751 4.280833 -2.503748
H -1.711146 4.766089 1.366541
H -1.089265 5.693304 -0.886290


