%chk=000216482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216482

0 1
S 1.364395 1.334780 -1.413355
O 2.185021 -2.059751 1.497360
O 0.050658 -2.429872 1.263287
N -1.574441 0.103019 1.083123
N -0.475532 0.821587 -0.818144
N 0.881711 -0.462993 0.620679
N 1.070648 -1.772400 1.165570
N 3.222272 0.108527 0.024297
C -2.659223 0.799665 0.263358
C -1.825931 1.422660 -0.922800
C -3.697208 -0.191018 -0.260512
C -3.295134 1.879851 1.133065
C -0.416937 0.066003 0.285911
C -1.933608 -0.905562 2.092286
C 1.921633 0.199619 -0.118640
C 3.054615 1.682926 -1.714006
C 3.872833 0.966027 -0.895471
H -2.256357 1.190234 -1.917791
H -1.756649 2.527772 -0.847456
H -4.427609 0.305828 -0.911218
H -3.236146 -0.997835 -0.845936
H -4.266042 -0.665004 0.548249
H -2.537122 2.542265 1.576244
H -3.984364 2.503975 0.552226
H -3.865573 1.454959 1.967979
H -1.133487 -0.973481 2.852341
H -2.084582 -1.915792 1.666012
H -2.857464 -0.596260 2.609611
H 3.338859 2.392003 -2.468105
H 4.956665 0.975569 -0.861765


%chk=000216482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216482

0 1
S 2.259474 0.926897 -1.934987
O 1.850974 -2.469265 -0.169935
O -0.433279 -2.524990 0.033906
N -1.497583 0.276330 0.858098
N -1.020224 0.628364 -1.389418
N 0.649460 -0.457993 -0.049634
N 0.699293 -1.936434 -0.074813
N 2.781509 0.431971 0.647760
C -2.824727 0.741827 0.312310
C -2.358970 1.249271 -1.110142
C -3.795078 -0.460404 0.186091
C -3.430480 1.867559 1.171309
C -0.639792 0.139080 -0.226600
C -1.327063 -0.338435 2.172775
C 1.845764 0.240118 -0.270565
C 3.796954 1.470881 -1.211637
C 3.879237 1.116568 0.129364
H -3.074344 0.965958 -1.900993
H -2.248472 2.351821 -1.124405
H -4.735969 -0.136444 -0.295465
H -3.344909 -1.260648 -0.427830
H -4.050299 -0.881661 1.175481
H -2.701439 2.683454 1.319929
H -4.321940 2.284506 0.668336
H -3.752287 1.498280 2.162526
H -0.249748 -0.443287 2.384416
H -1.793247 -1.341319 2.236298
H -1.763793 0.312182 2.950688
H 4.518707 2.030075 -1.803900
H 4.718172 1.343039 0.787433


