%chk=000286228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286228

0 1
S 2.604369 -1.358877 -1.070084
O 2.607832 -2.494160 -0.191389
O 2.942659 -1.523137 -2.469946
O 0.664433 -0.234036 0.968554
O -1.706852 1.411780 1.165525
N 0.933929 -0.817535 -1.222284
N -1.237525 -0.232535 -0.394489
C 3.457859 -0.033160 -0.405725
C 3.407693 0.234661 0.967029
C 4.231668 0.776935 -1.250802
C 4.129138 1.311698 1.494866
C 4.950526 1.849516 -0.724353
C 0.159869 -0.404515 -0.120307
C -3.555200 0.366191 0.031237
C 4.897245 2.117053 0.651030
C -2.116819 0.600421 0.376818
C -4.312049 1.431802 -0.473419
C -4.144712 -0.884820 0.254797
C -5.663808 1.236585 -0.770212
C -5.498333 -1.070490 -0.038823
C -6.255690 -0.012481 -0.553738
H 0.508753 -0.852376 -2.158661
H 2.792791 -0.388124 1.633495
H 4.275998 0.563407 -2.325571
H 4.081411 1.521721 2.563339
H 5.551748 2.478508 -1.378997
H 5.457849 2.958507 1.061599
H -1.642954 -0.755176 -1.177347
H -3.849840 2.408761 -0.624139
H -3.555619 -1.705125 0.667313
H -6.257518 2.060985 -1.164155
H -5.964258 -2.039576 0.137669
H -7.311294 -0.160808 -0.782529


%chk=000286228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286228

0 1
S 2.561173 -1.465120 -0.776679
O 2.528255 -2.566925 0.400940
O 2.926232 -1.863620 -2.309543
O 0.542514 -0.006344 1.156320
O -1.902379 1.699131 0.918986
N 0.839645 -0.796576 -1.021335
N -1.310796 -0.209535 -0.322683
C 3.603169 0.024076 -0.260599
C 3.611819 0.402992 1.090333
C 4.355268 0.639541 -1.274105
C 4.441278 1.493204 1.441090
C 5.175429 1.727174 -0.895046
C 0.067453 -0.302694 0.036351
C -3.685546 0.385382 -0.079048
C 5.214719 2.150183 0.454693
C -2.248554 0.698065 0.243495
C -4.613234 1.458225 -0.033611
C -4.145342 -0.922996 -0.385599
C -5.975318 1.232282 -0.316140
C -5.511720 -1.148070 -0.661933
C -6.427210 -0.070633 -0.636102
H 0.521888 -0.898457 -1.991967
H 2.988317 -0.112411 1.824991
H 4.312809 0.271878 -2.304288
H 4.473211 1.828917 2.482230
H 5.781273 2.235975 -1.651620
H 5.852231 2.994200 0.739055
H -1.655457 -0.849067 -1.042433
H -4.243895 2.454305 0.231553
H -3.459817 -1.779110 -0.359576
H -6.684646 2.066076 -0.285033
H -5.862984 -2.161411 -0.883781
H -7.486487 -0.247039 -0.852616


