%chk=000229190.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229190

0 1
S 2.122821 -2.146428 -0.224137
O 1.728559 -2.932653 0.915024
O 3.048518 -2.690893 -1.197549
O -3.737211 1.999695 -2.797673
O -2.599378 0.229521 -3.267592
N 0.698364 -1.919890 -1.242363
N -0.342084 -1.332894 -0.628310
N 3.735750 3.285926 1.363290
N -3.225972 0.932791 -2.490410
C 2.578622 -0.577582 0.231148
C 1.918547 0.079467 1.284263
C 3.624139 0.076376 -0.444854
C 3.338716 2.017240 0.975422
C 2.282093 1.362317 1.662744
C 4.010850 1.357983 -0.089575
C -2.571209 -0.492310 -0.500373
C -3.401230 0.481108 -1.095957
C -2.815121 -0.846554 0.842022
C -1.482087 -1.148225 -1.244425
C -4.443249 1.083259 -0.360954
C -3.850042 -0.255097 1.560831
C -4.669138 0.712803 0.959252
H 1.103041 -0.429708 1.813585
H 4.143416 -0.438851 -1.264493
H 1.766063 1.858954 2.478944
H 4.822338 1.851365 -0.616444
H 0.640467 -2.291300 -2.203381
H -2.175371 -1.597466 1.314829
H -1.718466 -1.427915 -2.285178
H -5.066293 1.845914 -0.842889
H -4.027215 -0.545486 2.598286
H -5.478275 1.172348 1.525994
H 4.410343 3.803125 0.827969
H 3.211294 3.806659 2.043555


%chk=000229190-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229190

0 1
S 2.016334 -1.955864 -0.315540
O 1.341871 -2.778743 0.910623
O 2.968804 -2.649046 -1.437629
O -5.521741 0.342848 -3.251885
O -3.512580 -0.655845 -3.587222
N 0.622592 -1.257432 -1.469688
N -0.496830 -0.865511 -0.850600
N 4.620857 3.016786 1.905583
N -4.387549 -0.096293 -2.811366
C 2.806573 -0.423947 0.358152
C 2.411719 0.028311 1.631125
C 3.786792 0.225320 -0.416544
C 4.019381 1.876494 1.393966
C 3.023042 1.181542 2.148359
C 4.394593 1.376963 0.106999
C -2.821634 -0.244573 -0.776308
C -4.099154 0.048237 -1.361488
C -2.714433 -0.046754 0.636778
C -1.639986 -0.720535 -1.510007
C -5.189979 0.505668 -0.577327
C -3.792165 0.399515 1.414211
C -5.043976 0.679933 0.806409
H 1.659888 -0.524539 2.202904
H 4.076918 -0.174411 -1.393405
H 2.735140 1.551190 3.138978
H 5.164638 1.896030 -0.474656
H 0.624912 -1.815475 -2.349990
H -1.746122 -0.266805 1.094867
H -1.732394 -0.929495 -2.581909
H -6.135760 0.714201 -1.082796
H -3.665535 0.527666 2.494551
H -5.890946 1.026028 1.406828
H 5.333073 3.514189 1.378112
H 4.365256 3.377946 2.820516


