%chk=000272849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272849

0 1
S 0.770762 -1.509303 1.104826
O -0.467293 -0.164309 -2.878296
O -1.249267 3.078897 -0.679947
N 1.244811 -1.101773 -1.476360
N -0.632768 1.012670 0.150090
C 1.480819 -0.397008 -0.178890
C 0.545822 0.789631 -0.678888
C 0.236394 -0.150384 -1.921382
C 1.010035 -2.555847 -1.371211
C 2.874736 -0.071416 0.229291
C 0.305214 -2.856005 -0.042925
C 1.288186 2.043188 -1.073812
C 3.078885 0.700038 1.386745
C 3.975960 -0.522091 -0.512063
C -1.473574 2.135213 0.050902
C 4.376997 1.007014 1.798370
C 5.273008 -0.210045 -0.093081
C -2.679155 2.089590 0.979922
C 5.475903 0.551854 1.060748
C -3.479851 0.825876 0.857556
C -4.061588 0.484887 -0.374030
C -3.654597 -0.012542 1.967683
C -4.812949 -0.686308 -0.489359
C -4.410887 -1.182333 1.845349
C -4.989965 -1.521737 0.619319
H 1.997407 -3.071252 -1.424111
H 0.413377 -2.900329 -2.245966
H -0.794320 -2.885203 -0.146633
H 0.625171 -3.819170 0.392388
H 2.187528 1.822622 -1.663965
H 0.646918 2.715883 -1.676510
H 1.602406 2.626174 -0.197188
H -0.931579 0.227260 0.744558
H 2.227604 1.058988 1.964626
H 3.822114 -1.109573 -1.418260
H 4.534262 1.602220 2.696652
H 6.126507 -0.562294 -0.670549
H -2.343915 2.268804 2.023657
H -3.327396 2.967161 0.739244
H 6.486738 0.792378 1.385442
H -3.924424 1.132536 -1.240717
H -3.208955 0.243598 2.926667
H -5.262616 -0.948577 -1.446673
H -4.548891 -1.829448 2.710428
H -5.579375 -2.431734 0.526953


%chk=000272849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272849

0 1
S 0.292843 -1.511609 0.910821
O -0.357448 0.118096 -3.135513
O -1.338027 3.294159 -1.040561
N 1.190765 -0.941566 -1.595165
N -0.690240 1.238697 -0.089646
C 1.335154 -0.323740 -0.254968
C 0.550579 0.979365 -0.813938
C 0.328909 0.076815 -2.101734
C 0.959320 -2.392873 -1.643863
C 2.726454 -0.152194 0.303561
C -0.090775 -2.696471 -0.535633
C 1.424859 2.218718 -1.034608
C 2.908898 0.319637 1.628615
C 3.862848 -0.412830 -0.500080
C -1.559791 2.305169 -0.283538
C 4.206879 0.517438 2.143703
C 5.163431 -0.220618 0.018515
C -2.854773 2.228975 0.565453
C 5.340403 0.245089 1.340732
C -3.407576 0.832768 0.810993
C -3.888491 0.053005 -0.276129
C -3.451919 0.277371 2.114589
C -4.401360 -1.244659 -0.061895
C -3.965375 -1.022266 2.333262
C -4.442177 -1.787681 1.245333
H 1.902592 -2.930400 -1.449292
H 0.581981 -2.666794 -2.643454
H -1.117982 -2.501987 -0.880838
H -0.002762 -3.722927 -0.146999
H 2.356373 1.942688 -1.556114
H 0.867219 2.959946 -1.626605
H 1.691800 2.675265 -0.065148
H -1.032835 0.440820 0.468105
H 2.035715 0.518280 2.261885
H 3.720271 -0.756365 -1.530568
H 4.336607 0.880015 3.169433
H 6.035940 -0.430330 -0.610349
H -2.645647 2.735581 1.527487
H -3.584023 2.859134 0.027045
H 6.348545 0.395098 1.742553
H -3.858446 0.468329 -1.291212
H -3.087220 0.867051 2.964909
H -4.776583 -1.828606 -0.910173
H -3.994996 -1.433139 3.348709
H -4.845738 -2.792653 1.412921


