%chk=000288666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288666

0 1
S 2.574062 -1.463781 0.782961
O -3.416334 1.534308 1.373212
O 3.803302 -1.776299 1.481737
O 1.712376 -2.507478 0.290049
O -1.546310 -1.188623 -1.862730
O -3.684329 -0.747006 -2.345388
N 1.715079 -0.545211 1.980099
C -1.655607 0.188855 0.648654
C -2.107859 1.065642 1.674460
C 0.394764 -0.058241 1.862413
C -2.731614 0.135860 -0.324923
C -0.401773 -0.401586 0.753511
C -3.750572 0.942907 0.160123
C -1.358200 1.387955 2.798540
C -0.091034 0.816730 2.878865
C 2.879447 -0.325088 -0.473006
C -5.077577 1.283436 -0.354312
C -2.762620 -0.603130 -1.565551
C 4.080481 0.394894 -0.472289
C 1.947272 -0.132041 -1.498474
C 4.345343 1.313611 -1.490523
C 2.210954 0.788168 -2.517574
C 3.408362 1.510832 -2.512073
H -0.100158 -1.141272 0.002432
H 2.163963 -0.406590 2.895939
H -1.741103 2.051586 3.570361
H 0.539572 1.044415 3.735704
H -5.878543 1.042432 0.365862
H -5.172620 2.358159 -0.585661
H -5.295026 0.722894 -1.289868
H 4.819034 0.232354 0.321291
H 1.003979 -0.699092 -1.509873
H 5.279622 1.873362 -1.490565
H 1.481986 0.940896 -3.312843
H 3.614193 2.229490 -3.306890
H -1.598712 -1.740451 -2.690266


%chk=000288666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288666

0 1
S 2.612905 -1.551373 0.762982
O -3.430707 1.602913 1.386147
O 3.973961 -1.875902 1.592054
O 1.721457 -2.728132 0.084987
O -1.776367 -1.394969 -1.773331
O -3.946642 -0.741224 -2.277749
N 1.673405 -0.617761 1.998529
C -1.727261 0.192890 0.665817
C -2.127879 1.111101 1.670639
C 0.369007 -0.086741 1.853377
C -2.842910 0.123216 -0.278980
C -0.468019 -0.439202 0.765015
C -3.842111 0.982800 0.192326
C -1.337208 1.452729 2.772834
C -0.064349 0.851729 2.846065
C 2.980889 -0.263020 -0.575005
C -5.194425 1.351176 -0.308968
C -2.955416 -0.667834 -1.504667
C 4.097574 0.564035 -0.372501
C 2.158624 -0.220895 -1.711471
C 4.394800 1.512125 -1.378027
C 2.473043 0.738912 -2.702327
C 3.581686 1.600792 -2.533610
H -0.181096 -1.208496 0.046747
H 2.125055 -0.698135 2.914947
H -1.679733 2.160191 3.532353
H 0.609022 1.110914 3.670349
H -5.970512 1.096637 0.436425
H -5.261580 2.439385 -0.492993
H -5.399031 0.808385 -1.243735
H 4.718698 0.454212 0.522201
H 1.319133 -0.912919 -1.827924
H 5.259676 2.172887 -1.260103
H 1.852725 0.807750 -3.601667
H 3.818713 2.338294 -3.307943
H -1.931330 -1.943573 -2.589389


