%chk=000273258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273258

0 1
S -1.325266 0.367602 -0.334433
S 0.983820 2.556760 -0.643946
O 4.139471 -1.104009 0.626512
N 0.625715 -1.318500 0.302620
N 1.914128 -1.637936 0.522438
N 2.661970 0.620979 0.028693
C -3.715662 -0.852354 -0.331098
C -4.369377 -0.020743 0.782352
C -2.255550 -1.176054 -0.051881
C -5.852536 0.212945 0.506519
C 0.341810 -0.071814 -0.044720
C 1.396293 0.926974 -0.185174
C 3.027527 -0.696617 0.403092
C 2.556645 3.424299 -0.694888
H -3.830971 -0.335297 -1.306908
H -4.272140 -1.807584 -0.450616
H -4.245299 -0.531308 1.757781
H -3.852245 0.954278 0.887974
H -2.096302 -1.535588 0.982709
H -1.878808 -1.970831 -0.724536
H -6.312041 0.809690 1.303333
H -6.408820 -0.729079 0.442855
H -6.009831 0.752027 -0.434929
H 2.084958 -2.617434 0.789807
H 2.362794 4.466700 -0.978871
H 3.251159 2.979058 -1.423496
H 3.069258 3.409134 0.279013


%chk=000273258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273258

0 1
S -1.369581 0.534715 -0.309548
S 1.028685 2.678208 -0.605690
O 4.221580 -1.138915 0.518841
N 0.607477 -1.268223 0.262700
N 1.935251 -1.588806 0.442800
N 2.716850 0.621446 -0.003005
C -3.779287 -0.923515 -0.265013
C -4.475813 0.016160 0.747280
C -2.274905 -1.120747 -0.025054
C -5.994550 0.124757 0.496078
C 0.345639 0.003741 -0.051157
C 1.447181 0.964798 -0.182294
C 3.056358 -0.711622 0.329360
C 2.758782 3.418383 -0.636001
H -3.952639 -0.558702 -1.297076
H -4.251123 -1.926470 -0.208108
H -4.291172 -0.357483 1.774757
H -4.017604 1.023362 0.696511
H -2.051272 -1.437754 1.006986
H -1.827515 -1.845165 -0.724467
H -6.475103 0.797194 1.229398
H -6.484164 -0.864532 0.573495
H -6.202223 0.524482 -0.514328
H 2.114171 -2.566538 0.683156
H 2.618416 4.481738 -0.882347
H 3.361301 2.904062 -1.397093
H 3.225961 3.290723 0.350021


