%chk=000292429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000292429

0 1
S -0.000003 -0.308527 0.000546
O 2.774139 0.324447 0.000746
O -2.774144 0.324440 0.000529
N 3.758173 -1.770399 -0.000111
N -3.758175 -1.770407 0.000288
C 8.454986 0.278976 0.000581
C -8.454990 0.278958 0.000934
C 6.921523 0.291381 0.000561
C -6.921527 0.291367 0.000892
C 8.952924 1.005080 1.266355
C 8.953149 1.008012 -1.263422
C 9.029880 -1.149491 -0.001078
C -8.952984 1.005729 -1.264436
C -8.953103 1.007324 1.265344
C -9.029876 -1.149512 0.001863
C 6.176277 -0.888978 0.000145
C -6.176280 -0.888990 0.000627
C 6.266636 1.553256 0.001107
C -6.266643 1.553244 0.000999
C 4.780022 -0.786047 0.000235
C -4.780025 -0.786057 0.000528
C 4.157676 0.499804 0.000763
C -4.157682 0.499796 0.000671
C 4.881137 1.688369 0.001213
C -4.881144 1.688359 0.000899
C 2.614626 -1.105709 0.000191
C -2.614629 -1.105715 0.000300
C 1.245076 -1.518226 0.000077
C -1.245078 -1.518230 0.000136
C 0.716810 -2.786718 -0.000367
C -0.716808 -2.786720 -0.000314
H 10.045661 0.981045 1.333229
H 8.651433 2.056800 1.285140
H 8.557182 0.535046 2.173702
H 8.651982 2.059867 -1.279662
H 10.045882 0.983832 -1.330330
H 8.557299 0.540281 -2.171910
H 10.125644 -1.131177 -0.001154
H 8.720521 -1.714142 0.885190
H 8.720342 -1.712123 -0.888568
H -10.045724 0.981729 -1.331274
H -8.651494 2.057459 -1.282680
H -8.557282 0.536173 -2.172048
H -8.651943 2.059173 1.282127
H -10.045833 0.983101 1.332288
H -8.557208 0.539118 2.173567
H -10.125640 -1.131204 0.001999
H -8.720555 -1.713691 -0.884719
H -8.720293 -1.712612 0.889040
H 6.633844 -1.877561 -0.000235
H -6.633847 -1.877573 0.000489
H 6.877096 2.458710 0.001454
H -6.877104 2.458697 0.001174
H 4.388743 2.656340 0.001624
H -4.388752 2.656331 0.000993
H 1.308865 -3.696616 -0.000709
H -1.308860 -3.696620 -0.000625


%chk=000292429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000292429

0 1
S -0.000003 0.414439 0.000221
O 3.012268 0.860936 0.000390
O -3.012274 0.860929 0.000487
N 3.718163 -1.359792 0.000027
N -3.718164 -1.359801 0.000145
C 8.693673 -0.012630 0.000706
C -8.693676 -0.012649 0.000891
C 7.165659 0.236676 0.000590
C -7.165663 0.236659 0.000762
C 9.323070 0.632585 1.272841
C 9.323427 0.633456 -1.270808
C 9.045186 -1.522498 0.000239
C -9.323435 0.633382 -1.270650
C -9.323070 0.632620 1.273000
C -9.045186 -1.522518 0.000486
C 6.228383 -0.822824 0.000318
C -6.228385 -0.822839 0.000459
C 6.687988 1.589367 0.000799
C -6.687995 1.589352 0.000972
C 4.851953 -0.510054 0.000267
C -4.851956 -0.510066 0.000393
C 4.425166 0.847022 0.000480
C -4.425172 0.847012 0.000616
C 5.316084 1.924937 0.000742
C -5.316093 1.924924 0.000903
C 2.667058 -0.539730 0.000143
C -2.667061 -0.539737 0.000217
C 1.269319 -0.870923 0.000042
C -1.269321 -0.870926 0.000076
C 0.711946 -2.155034 -0.000200
C -0.711945 -2.155036 -0.000185
H 10.417284 0.470981 1.278523
H 9.142327 1.721587 1.314299
H 8.901555 0.184208 2.190997
H 9.142716 1.722490 -1.311560
H 10.417642 0.471841 -1.276293
H 8.902163 0.185726 -2.189395
H 10.143561 -1.645341 0.000403
H 8.651317 -2.036292 0.896664
H 8.651661 -2.035657 -0.896701
H -10.417646 0.471748 -1.276135
H -9.142742 1.722417 -1.311439
H -8.902158 0.185627 -2.189218
H -9.142305 1.721619 1.314421
H -10.417288 0.471036 1.278680
H -8.901569 0.184266 2.191174
H -10.143561 -1.645363 0.000568
H -8.651582 -2.035730 -0.896389
H -8.651393 -2.036258 0.896975
H 6.540714 -1.868946 0.000161
H -6.540714 -1.868961 0.000290
H 7.415467 2.408263 0.001008
H -7.415478 2.408245 0.001196
H 4.975988 2.963473 0.000905
H -4.975999 2.963461 0.001067
H 1.335246 -3.051238 -0.000348
H -1.335243 -3.051242 -0.000317


