%chk=000247403.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247403

0 1
S -2.856700 1.396383 -0.536671
O -3.898946 1.846686 0.358598
O -2.933784 1.670557 -1.952602
O -0.025313 0.797023 1.869238
N -1.447622 2.247962 0.092273
N -0.241404 1.602252 -0.257022
N 5.716133 -0.930001 -0.437590
C -2.572522 -0.294248 -0.315054
C 1.854711 0.486929 0.410313
C -2.353043 -0.821741 0.960951
C -2.592836 -1.140918 -1.429467
C 0.505531 0.958100 0.780387
C 2.818328 0.393201 1.434882
C 2.192765 0.092938 -0.896378
C -2.158836 -2.197578 1.123940
C -2.399233 -2.515066 -1.268655
C 4.445305 -0.424930 -0.162162
C -2.184001 -3.042540 0.010202
C 4.105741 -0.043574 1.160408
C 3.473447 -0.352938 -1.192280
H -1.490854 2.510471 1.101858
H -2.314578 -0.166948 1.839304
H -2.761256 -0.725640 -2.430571
H 0.268913 2.154268 -0.964378
H 2.537116 0.671442 2.456019
H 1.441045 0.125131 -1.689363
H -1.983798 -2.605339 2.118824
H -2.417787 -3.173434 -2.135269
H -2.034030 -4.115272 0.137520
H 4.841308 -0.109187 1.957432
H 3.723264 -0.660757 -2.203827
H 6.019202 -1.013807 -1.393096
H 6.454533 -0.804324 0.234034


%chk=000247403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247403

0 1
S -3.155190 1.392050 -0.382809
O -4.159354 1.644462 0.885163
O -3.679885 1.534007 -1.922553
O -0.024334 1.508105 1.905472
N -1.433290 2.718417 -0.150150
N -0.250632 2.036449 -0.332411
N 5.349010 -1.362220 -0.354358
C -2.431813 -0.369424 -0.250731
C 1.703656 0.689887 0.389424
C -2.134265 -0.883501 1.022078
C -2.277889 -1.096514 -1.443294
C 0.450654 1.394504 0.730869
C 2.572334 0.329393 1.458430
C 2.079422 0.325191 -0.935462
C -1.648305 -2.209639 1.096813
C -1.791812 -2.421423 -1.347967
C 4.156512 -0.696625 -0.111212
C -1.476229 -2.972162 -0.083146
C 3.775164 -0.345284 1.221191
C 3.279529 -0.354581 -1.186328
H -1.543187 2.815829 0.893977
H -2.271747 -0.275486 1.922029
H -2.562492 -0.644326 -2.399512
H 0.107445 2.051304 -1.288235
H 2.272539 0.597396 2.476824
H 1.421643 0.531076 -1.788733
H -1.405481 -2.640535 2.073572
H -1.668645 -3.020826 -2.256379
H -1.101997 -3.999726 -0.016345
H 4.432575 -0.606013 2.059001
H 3.545096 -0.635724 -2.212140
H 5.627716 -1.610560 -1.299802
H 5.974051 -1.608398 0.408522


