%chk=000297816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297816

0 1
S 1.160782 -3.633825 0.323091
O 5.205958 -0.233878 -0.956942
O 4.444157 -0.468757 1.163815
O 2.137021 2.587416 -1.596857
O -2.185705 1.716241 1.277043
O -0.117127 0.841964 1.768311
N 2.158552 1.015607 0.072803
N -0.378000 2.829273 0.561123
C 2.881005 -0.000574 -0.711150
C 2.098836 -1.325278 -0.826810
C 1.694311 -1.911830 0.517512
C 4.220175 -0.259882 -0.002662
C 1.816082 2.246547 -0.474164
C 1.049189 3.175127 0.488802
C -0.460882 -3.487944 -0.456269
C -2.843881 0.534320 1.852356
C -3.627361 -0.101405 0.741632
C -0.806828 1.702993 1.246966
C 6.565726 -0.494147 -0.513672
C -4.779662 0.533179 0.252381
C -3.217030 -1.322206 0.189895
C -5.519628 -0.057358 -0.775030
C -3.962927 -1.911898 -0.834707
C -5.114265 -1.281680 -1.317173
H 3.088330 0.405522 -1.749227
H 2.719645 -2.049757 -1.400083
H 1.199282 -1.146121 -1.453413
H 0.905020 -1.307532 1.010838
H 2.550472 -1.936396 1.231202
H 1.782505 0.713550 0.986624
H 1.153114 4.222660 0.113295
H 1.513161 3.152295 1.505313
H -1.040541 3.406927 0.048344
H -1.137563 -2.837649 0.119345
H -0.390317 -3.104991 -1.479178
H -0.901886 -4.492940 -0.494985
H -3.483594 0.975718 2.640310
H -2.091293 -0.135342 2.313207
H 7.163670 -0.175282 -1.374095
H 6.670560 -1.564780 -0.314954
H 6.791471 0.093343 0.382561
H -5.091105 1.490535 0.669252
H -2.309539 -1.818724 0.552657
H -6.413032 0.436885 -1.154300
H -3.645597 -2.863426 -1.258841
H -5.694062 -1.742499 -2.115665


%chk=000297816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297816

0 1
S 0.205632 -2.903759 -1.939503
O 4.597912 -1.363697 0.162741
O 3.226680 -0.373786 1.766134
O 2.281281 2.459148 -2.135102
O -2.312817 2.202628 0.858532
O -0.162238 1.755171 1.736884
N 2.052052 1.234136 -0.164648
N -0.479486 3.072411 -0.169808
C 2.927906 0.156091 -0.638020
C 2.194330 -0.888036 -1.545453
C 1.143087 -1.721436 -0.796069
C 3.571989 -0.519518 0.571068
C 1.810209 2.331562 -0.960678
C 0.940018 3.431008 -0.307106
C -1.016462 -1.680846 -2.690302
C -2.922154 1.298371 1.899763
C -3.108273 -0.104184 1.367068
C -0.917266 2.294643 0.874605
C 5.286476 -2.115503 1.242790
C -4.309613 -0.467220 0.706843
C -2.079190 -1.071080 1.514325
C -4.479561 -1.772372 0.192689
C -2.246326 -2.374942 0.997011
C -3.445957 -2.727548 0.334665
H 3.721218 0.610053 -1.261420
H 2.953623 -1.556944 -1.987984
H 1.730550 -0.318364 -2.370808
H 0.394892 -1.086487 -0.290177
H 1.610060 -2.376083 -0.038889
H 1.637822 1.181534 0.779234
H 1.018208 4.322707 -0.947861
H 1.340673 3.669379 0.695191
H -1.163112 3.398444 -0.852950
H -1.681597 -1.287407 -1.904887
H -0.481596 -0.862126 -3.197224
H -1.606797 -2.244751 -3.429471
H -3.883118 1.791088 2.114997
H -2.266458 1.320911 2.786586
H 6.025801 -2.737936 0.720744
H 4.562669 -2.734508 1.798753
H 5.775108 -1.413926 1.939122
H -5.109960 0.274584 0.593673
H -1.152047 -0.791266 2.028323
H -5.412265 -2.044245 -0.314020
H -1.444207 -3.113323 1.097495
H -3.570494 -3.738575 -0.068355


