%chk=000286348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286348

0 1
S -0.882266 -0.423207 -1.030991
O -0.744644 -1.519782 -1.961026
O -0.975050 0.918244 -1.562768
N 0.555281 -0.389843 -0.041763
N 1.914629 -1.406272 1.355353
N 0.748642 -1.356659 0.928733
C 1.899145 0.171970 -0.475404
C -2.170471 -0.759269 0.119418
C 2.820997 -0.408337 0.662484
C 2.225074 -0.234942 -1.916943
C 4.157674 -1.041890 0.276199
C -2.396008 0.443763 1.047754
C -3.452369 -1.105070 -0.656619
C 3.718346 -0.482563 -2.135200
C 4.214029 -1.556923 -1.162688
C -3.565555 0.180847 2.008402
C -4.614816 -1.376271 0.310058
C -4.847120 -0.183057 1.246814
H 1.845345 1.283344 -0.389493
H -1.906542 -1.645647 0.760369
H 3.020170 0.404474 1.410237
H 1.859699 0.546697 -2.614106
H 1.669077 -1.158530 -2.203827
H 4.384610 -1.872158 0.980167
H 4.961565 -0.293298 0.429998
H -2.604574 1.356200 0.448554
H -1.479404 0.657450 1.633995
H -3.285199 -1.994820 -1.299675
H -3.731891 -0.272783 -1.335989
H 4.292483 0.454091 -2.003826
H 3.892699 -0.801954 -3.181060
H 3.597252 -2.472977 -1.262883
H 5.248292 -1.858618 -1.413610
H -3.739479 1.076090 2.635174
H -3.300158 -0.635465 2.708216
H -4.406398 -2.286875 0.904543
H -5.535022 -1.591342 -0.265774
H -5.657840 -0.416703 1.962075
H -5.196601 0.690187 0.662303


%chk=000286348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000286348

0 1
S -0.895791 -0.319557 -1.166447
O -0.872722 -1.503423 -2.283145
O -0.898225 1.228048 -1.665824
N 0.607215 -0.397997 0.044183
N 1.982954 -1.913664 0.989341
N 0.756050 -1.715840 0.633414
C 1.967278 0.069271 -0.430579
C -2.322575 -0.672886 0.167728
C 2.819393 -0.665262 0.651285
C 2.286236 -0.352939 -1.889225
C 4.274518 -1.007910 0.290704
C -2.527167 0.591299 0.999504
C -3.564941 -1.138343 -0.594564
C 3.809450 -0.426807 -2.138775
C 4.456314 -1.450176 -1.178116
C -3.669391 0.320711 2.021897
C -4.693943 -1.406511 0.441226
C -4.960765 -0.160244 1.318932
H 2.022733 1.161037 -0.304017
H -1.842236 -1.491165 0.734859
H 2.797450 -0.068352 1.587605
H 1.801218 0.356680 -2.583546
H 1.846072 -1.348501 -2.089870
H 4.621455 -1.794578 0.986863
H 4.899543 -0.112525 0.478161
H -2.806337 1.432948 0.337622
H -1.595956 0.870508 1.523041
H -3.345740 -2.046037 -1.183654
H -3.895131 -0.349244 -1.298151
H 4.274477 0.570275 -1.993227
H 3.990840 -0.713967 -3.191024
H 3.988060 -2.442501 -1.333693
H 5.534901 -1.564214 -1.395330
H -3.860474 1.246375 2.596487
H -3.337094 -0.447256 2.749263
H -4.406174 -2.260558 1.087171
H -5.611031 -1.706706 -0.099203
H -5.737755 -0.388662 2.072944
H -5.359107 0.656773 0.683362


