%chk=000294945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294945

0 1
S -0.014281 -2.534344 0.669666
O 0.789684 0.276671 0.502766
O -3.094171 2.631177 -0.376398
O 1.015344 -0.674320 -1.574044
O -3.277828 0.943556 -1.936108
O 6.988953 0.575923 1.541335
O 6.245821 1.976373 3.012060
N -1.781660 0.823473 -0.152758
N 6.086347 1.178574 2.101051
C -1.219770 -0.479310 -0.531949
C -1.540488 -1.573738 0.488960
C 0.319476 -0.373466 -0.647138
C -0.097295 -3.755102 -0.685378
C 1.307593 -4.252255 -0.796621
C -2.778527 1.409447 -0.932024
C 2.228360 -3.575289 -1.613204
C 1.713512 -5.391758 -0.084385
C -4.203680 3.361375 -1.003553
C 2.133169 0.452595 0.795277
C -5.508732 2.867799 -0.451275
C 3.540773 -4.040540 -1.718472
C 3.029101 -5.850543 -0.193868
C 2.342549 1.371857 1.843359
C 3.182789 -0.229975 0.167330
C 3.943551 -5.177964 -1.010423
C -6.120139 1.736315 -1.012366
C -6.119967 3.533911 0.620227
C 4.710017 0.926337 1.646540
C 3.643181 1.605337 2.268318
C 4.482787 0.012371 0.601930
C -7.341369 1.282112 -0.509490
C -7.343118 3.076060 1.119009
C -7.955054 1.952482 0.554329
H -1.609060 -0.765833 -1.558759
H -2.411012 -2.182039 0.188272
H -1.790240 -1.161035 1.490094
H -1.425075 1.282363 0.686211
H -0.447470 -3.287333 -1.625771
H -0.816535 -4.558199 -0.437196
H -4.131511 3.251565 -2.102808
H -3.953716 4.397516 -0.704251
H 1.919924 -2.681325 -2.162218
H 1.008644 -5.918446 0.556602
H 4.251955 -3.516240 -2.355612
H 3.342089 -6.734454 0.360185
H 1.493736 1.876811 2.301850
H 2.987621 -0.938626 -0.644486
H 4.967444 -5.538221 -1.094441
H -5.630634 1.207916 -1.836299
H -5.644294 4.405156 1.067942
H 3.852441 2.311834 3.080675
H 5.332664 -0.503757 0.138575
H -7.815854 0.405180 -0.947445
H -7.818743 3.595450 1.949412
H -8.908705 1.598778 0.943164


%chk=000294945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294945

0 1
S 0.090998 -2.727069 0.959015
O 1.019016 0.705116 0.912015
O -3.169607 2.583342 -0.379508
O 1.394422 -0.272532 -1.198592
O -3.047921 0.723585 -1.835544
O 7.278920 0.693430 2.229350
O 6.733336 2.845293 2.756449
N -1.639804 0.962934 0.030685
N 6.431832 1.662635 2.332849
C -0.883576 -0.270107 -0.192722
C -1.177293 -1.323519 0.909072
C 0.624989 0.010219 -0.268445
C -0.158727 -3.515129 -0.782193
C 1.046184 -4.360808 -1.116867
C -2.654788 1.357828 -0.821887
C 2.192211 -3.766881 -1.709815
C 1.056192 -5.751380 -0.838374
C -4.354749 3.104443 -1.151920
C 2.396385 0.917509 1.202954
C -5.659248 2.578798 -0.595063
C 3.322429 -4.552952 -2.022655
C 2.188640 -6.537794 -1.149109
C 2.753695 2.203706 1.660416
C 3.334844 -0.136248 1.115626
C 3.324496 -5.940408 -1.742502
C -6.219298 1.374680 -1.095947
C -6.338172 3.282830 0.432073
C 5.025771 1.402568 1.941379
C 4.086211 2.453009 2.037206
C 4.668067 0.112771 1.488254
C -7.435698 0.882861 -0.573136
C -7.554419 2.791255 0.956183
C -8.105599 1.589349 0.453402
H -1.188531 -0.653041 -1.180624
H -2.192186 -1.732791 0.777942
H -1.097499 -0.863073 1.908217
H -1.411942 1.555146 0.831050
H -0.271031 -2.685123 -1.497200
H -1.088611 -4.103993 -0.738174
H -4.215433 2.821215 -2.209007
H -4.260433 4.194402 -1.027339
H 2.189598 -2.691372 -1.925803
H 0.176191 -6.217235 -0.378212
H 4.198515 -4.086848 -2.487315
H 2.183891 -7.611683 -0.931667
H 1.993245 2.987538 1.714558
H 3.023429 -1.126298 0.772996
H 4.201924 -6.549674 -1.986639
H -5.689148 0.826578 -1.882790
H -5.912123 4.216028 0.821078
H 4.408355 3.433624 2.395710
H 5.428919 -0.670126 1.439277
H -7.862528 -0.046406 -0.966583
H -8.072709 3.343314 1.748080
H -9.051034 1.208686 0.856193


