%chk=000278676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278676

0 1
S 3.518200 1.337047 -0.489276
O -1.115167 0.713836 1.781283
O -3.418289 -1.560622 -2.493127
O 4.765263 1.591056 -1.174658
O 2.738476 2.403356 0.081261
N 2.572605 0.603443 -1.761744
C -0.898475 0.144967 -0.513419
C -1.497971 -0.499258 -1.609984
C -3.149090 0.164171 0.691024
C -3.743010 -0.458098 -0.421742
C 1.207044 0.281700 -1.711763
C -1.673355 0.381828 0.755459
C -2.922816 -0.907909 -1.594816
C 0.427797 0.556966 -0.561809
C -0.728478 -0.744807 -2.760284
C 0.607810 -0.365201 -2.819329
C -3.943361 0.577554 1.766421
C -5.125961 -0.664054 -0.446735
C 3.709005 0.071493 0.657944
C -5.328982 0.375863 1.732723
C -5.918405 -0.244399 0.629671
C 4.792008 -0.809510 0.543891
C 2.800969 -0.067995 1.714279
C 4.959476 -1.835249 1.476715
C 2.967503 -1.094817 2.647836
C 4.044987 -1.978486 2.527500
H 0.833803 1.122124 0.287277
H -1.199673 -1.245911 -3.613970
H 1.187411 -0.568374 -3.717460
H 3.028292 0.474828 -2.678151
H -3.471022 1.055452 2.629920
H -5.578052 -1.156327 -1.313823
H -5.944163 0.703209 2.571181
H -6.996600 -0.404956 0.602538
H 5.515691 -0.690468 -0.270363
H 1.955269 0.627197 1.818302
H 5.801541 -2.520810 1.388384
H 2.256146 -1.203130 3.467280
H 4.174971 -2.781009 3.255765


%chk=000278676-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278676

0 1
S 3.529270 0.968324 -0.778917
O -1.114083 -0.238877 1.770543
O -3.865336 -0.121151 -3.021989
O 4.889679 1.100511 -1.662361
O 2.605161 2.246834 -0.388397
N 2.513502 -0.310766 -1.835211
C -1.028193 -0.205100 -0.643663
C -1.741135 -0.170093 -1.880661
C -3.244204 -0.186291 0.631567
C -3.951955 -0.152574 -0.607117
C 1.107366 -0.215429 -1.853459
C -1.750817 -0.213984 0.668798
C -3.228289 -0.145497 -1.918820
C 0.378340 -0.242501 -0.636427
C -1.009398 -0.153431 -3.095526
C 0.393176 -0.152387 -3.089684
C -3.964594 -0.192038 1.851951
C -5.367867 -0.125051 -0.603697
C 3.902047 0.014322 0.802460
C -5.373254 -0.164489 1.845753
C -6.076580 -0.130972 0.614554
C 4.977553 -0.887472 0.780199
C 3.108557 0.278520 1.930207
C 5.264192 -1.582393 1.977548
C 3.413715 -0.429960 3.115505
C 4.482110 -1.356866 3.135641
H 0.887818 -0.309203 0.328530
H -1.571105 -0.118662 -4.034216
H 0.948859 -0.111051 -4.034020
H 2.977567 -0.255150 -2.759823
H -3.396231 -0.217220 2.787023
H -5.884693 -0.098887 -1.568186
H -5.925732 -0.168197 2.791312
H -7.171553 -0.109108 0.611017
H 5.574781 -1.027097 -0.126120
H 2.302154 1.018264 1.893762
H 6.095576 -2.294050 2.003368
H 2.814799 -0.254942 4.014567
H 4.710197 -1.901187 4.058190


