%chk=000229171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229171

0 1
S -1.138175 2.023525 -0.009062
O -1.555870 2.307553 -1.354461
O -1.108176 3.088053 0.971978
O 4.362928 -1.605602 -0.909221
O 5.002476 -0.401373 0.771343
N -2.199343 0.865596 0.735553
N -2.310554 -0.279868 -0.014860
N 4.185312 -0.743778 -0.065643
C 0.403612 1.214980 -0.030678
C 0.659386 0.231117 -0.987927
C 1.371461 1.568114 0.914000
C -3.169157 -2.413124 -0.670375
C -3.225964 -1.181942 0.206858
C 2.862200 -0.055617 -0.055460
C 1.900665 -0.415588 -1.006491
C 2.616031 0.931933 0.907354
C -2.686756 -3.629331 0.115182
C -4.318099 -1.110575 1.228977
H -0.107573 -0.043054 -1.724229
H 1.160389 2.346526 1.660301
H -2.500470 -2.241306 -1.542675
H -4.174851 -2.599882 -1.101006
H -2.970056 1.169179 1.348819
H 2.121501 -1.190562 -1.748663
H 3.389127 1.194514 1.637889
H -2.639388 -4.518036 -0.525519
H -1.681987 -3.466498 0.525998
H -3.348777 -3.864403 0.956548
H -4.981001 -0.250751 1.056199
H -4.956030 -2.005426 1.221805
H -3.911661 -1.024375 2.247668


%chk=000229171-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229171

0 1
S -1.141248 2.006424 -0.154071
O -1.584895 2.133908 -1.712689
O -1.168350 3.271581 0.867330
O 4.772618 -1.263961 -1.022004
O 5.176155 -0.269148 0.990698
N -2.141088 0.647629 0.803911
N -2.337046 -0.456710 -0.014147
N 4.426180 -0.518826 -0.028241
C 0.566547 1.210629 -0.107639
C 0.948427 0.411293 -1.196967
C 1.383761 1.481158 1.001844
C -3.420677 -2.530824 -0.625525
C -3.322132 -1.296039 0.245601
C 3.067274 0.092621 -0.057737
C 2.235599 -0.164387 -1.169636
C 2.671604 0.908033 1.025675
C -3.108483 -3.839982 0.148010
C -4.305566 -1.096807 1.385054
H 0.266042 0.259219 -2.037905
H 1.027472 2.131342 1.806801
H -2.720827 -2.417130 -1.471044
H -4.446004 -2.593668 -1.043496
H -2.981501 1.151930 1.172558
H 2.599277 -0.799910 -1.980738
H 3.362682 1.078267 1.854774
H -3.220492 -4.714054 -0.517860
H -2.072976 -3.829102 0.531257
H -3.790544 -3.980741 1.006378
H -4.824623 -0.118178 1.308396
H -5.076420 -1.882615 1.386803
H -3.789566 -1.111955 2.364808


