%chk=000235487.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235487

0 1
S 1.670928 2.012915 -0.692344
O -2.626014 -1.527549 1.520648
O -2.728579 -2.818464 -1.572154
O 0.309366 -2.333043 -0.258944
O 0.234834 -3.022715 3.115461
N -3.153025 0.269449 0.095483
N -4.048601 2.370248 0.458642
N -0.777387 0.981966 -0.320754
N -0.499896 3.419267 -0.181481
C -2.046232 -1.829548 -0.802973
C -1.044938 -2.600273 0.098978
C -3.064832 -1.198291 0.194826
C -1.239140 -1.979259 1.501802
C -1.120889 -2.959954 2.672579
C -2.096220 1.188687 -0.027399
C -4.311871 1.065609 0.431171
C -2.673004 2.499478 0.182637
C -1.806517 3.610148 0.090652
C -0.046777 2.128069 -0.370944
C 1.937138 0.235988 -0.997774
C 3.417352 0.073099 -0.913479
C 4.021404 -0.259624 0.310185
C 4.214527 0.249359 -2.056230
C 5.407293 -0.417211 0.385682
C 5.600269 0.090327 -1.973369
C 6.198832 -0.243811 -0.754509
H -1.534951 -1.094239 -1.460437
H -4.089074 -1.640381 0.112666
H -1.238201 -3.694557 0.052269
H -0.579268 -1.088818 1.639884
H -1.483807 -3.973172 2.428309
H -1.668693 -2.580512 3.561866
H -3.093713 -2.427435 -2.395501
H 0.538888 -2.792000 -1.097379
H -5.272893 0.600969 0.614136
H 0.827245 -3.281995 2.374357
H -2.161436 4.639114 0.235447
H 1.523806 -0.046956 -1.983800
H 1.388778 -0.394640 -0.256772
H 3.410015 -0.389515 1.202842
H 3.756335 0.515744 -3.007176
H 5.872024 -0.673256 1.336912
H 6.215304 0.230005 -2.861086
H 7.278419 -0.366025 -0.692329


%chk=000235487-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235487

0 1
S 1.466047 2.315933 -1.233408
O -2.146436 -1.454315 1.755013
O -2.908132 -2.716633 -1.483838
O 0.227389 -2.839966 -0.652133
O 1.347599 -2.816063 2.086766
N -3.110687 0.278831 0.351926
N -4.162903 2.314588 0.638041
N -0.891955 1.105594 -0.418510
N -0.791084 3.555566 -0.524224
C -2.095959 -1.817122 -0.666569
C -1.033863 -2.656544 0.065479
C -2.896319 -1.164682 0.512608
C -0.766920 -1.844908 1.344549
C -0.062353 -2.624226 2.456412
C -2.171192 1.260888 0.002400
C -4.275546 0.985569 0.739213
C -2.841785 2.514436 0.179670
C -2.078371 3.670710 -0.101521
C -0.259043 2.292460 -0.669880
C 1.840015 0.446696 -1.531785
C 3.199903 0.069639 -0.997626
C 3.331808 -0.544467 0.275041
C 4.368338 0.305267 -1.769151
C 4.604165 -0.913038 0.765297
C 5.641900 -0.057356 -1.277718
C 5.763392 -0.668492 -0.007593
H -1.596588 -1.042441 -1.276995
H -3.887883 -1.638558 0.616522
H -1.489645 -3.636162 0.323409
H -0.178681 -0.940311 1.094390
H -0.573092 -3.593665 2.635537
H -0.055167 -2.046621 3.394270
H -3.403150 -2.201627 -2.168891
H 0.076502 -3.408324 -1.448610
H -5.164144 0.459707 1.085152
H 1.387820 -3.111550 1.135690
H -2.480846 4.682369 0.010048
H 1.769578 0.314899 -2.623442
H 1.021241 -0.097041 -1.038383
H 2.444093 -0.750534 0.883890
H 4.278747 0.775246 -2.756812
H 4.684286 -1.395117 1.745792
H 6.535375 0.132308 -1.883297
H 6.750347 -0.953743 0.373868


