%chk=000229608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229608

0 1
S 1.475101 1.781744 0.372172
O 1.341959 2.964890 1.191430
O 1.581739 1.893054 -1.061140
N 2.897100 1.032959 1.009644
C -2.209780 0.011272 0.470429
C -3.550677 0.441563 -0.139520
C -1.108442 1.037587 0.166712
C -4.654635 -0.581875 0.158551
C 0.231336 0.614339 0.774885
C -5.995412 -0.151212 -0.450938
C -7.101934 -1.173270 -0.154314
C -8.438390 -0.749304 -0.759176
C 3.565719 -0.088217 0.453011
C 4.592128 -0.700623 1.206978
C 3.202087 -0.613715 -0.801845
C 5.222686 -1.839716 0.709391
C 3.846939 -1.757213 -1.275912
C 4.849591 -2.379543 -0.526369
H -2.318315 -0.115893 1.565006
H -1.920274 -0.982798 0.077692
H -3.843801 1.434936 0.252984
H -3.444261 0.570779 -1.234475
H -1.007231 1.157648 -0.934414
H -1.411455 2.031221 0.560699
H -4.763799 -0.711312 1.252691
H -4.364755 -1.575089 -0.235605
H 0.493885 -0.407929 0.424162
H 0.120843 0.494974 1.874066
H -5.889475 -0.021210 -1.545253
H -6.288109 0.841796 -0.058664
H -6.812315 -2.167025 -0.548552
H -7.211836 -1.302411 0.940257
H 3.393628 1.504654 1.778317
H -8.375159 -0.648897 -1.848737
H -9.221998 -1.484060 -0.542831
H -8.774422 0.214966 -0.361081
H 4.890630 -0.290874 2.167581
H 2.466451 -0.114928 -1.437377
H 6.013958 -2.313216 1.290910
H 3.566886 -2.162353 -2.249036
H 5.343210 -3.270098 -0.905130


%chk=000229608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229608

0 1
S 1.457304 0.760404 0.282530
O 1.333617 2.265246 0.910557
O 1.737683 0.537329 -1.306903
N 2.794505 -0.334517 1.352932
C -2.656495 -0.332724 0.465728
C -3.912956 0.305264 -0.170579
C -1.362512 0.442197 0.105534
C -5.213000 -0.458356 0.167859
C -0.142136 -0.214468 0.749203
C -6.473331 0.176008 -0.462696
C -7.773518 -0.590547 -0.128621
C -9.029157 0.050319 -0.758251
C 4.011664 -0.595840 0.664171
C 5.238619 0.016426 1.054544
C 4.005526 -1.530408 -0.409914
C 6.442169 -0.340593 0.414769
C 5.209285 -1.856911 -1.063778
C 6.431831 -1.273054 -0.650711
H -2.779195 -0.363706 1.567950
H -2.567693 -1.385133 0.126269
H -4.003773 1.356703 0.171715
H -3.786091 0.345059 -1.272101
H -1.238372 0.464203 -0.994197
H -1.448210 1.490323 0.450631
H -5.338065 -0.501420 1.270211
H -5.121881 -1.509868 -0.176566
H 0.074553 -1.230469 0.383192
H -0.146479 -0.186579 1.850943
H -6.349791 0.222627 -1.564985
H -6.569433 1.226377 -0.116459
H -7.677620 -1.639303 -0.477174
H -7.894396 -0.639261 0.973034
H 2.944498 0.313249 2.155094
H -8.946570 0.083319 -1.861128
H -9.944174 -0.516114 -0.504990
H -9.165026 1.088948 -0.401909
H 5.240967 0.758606 1.862992
H 3.059265 -1.987194 -0.714144
H 7.384235 0.118319 0.733880
H 5.197392 -2.571188 -1.894042
H 7.366160 -1.537671 -1.157392


