%chk=000277898.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277898

0 1
S 0.446698 2.077457 0.054887
O 0.206684 2.466996 1.421593
O 0.915756 3.078391 -0.886685
N -1.638986 0.530427 -0.047276
N -1.064533 1.597219 -0.678609
C -3.350201 -1.057983 0.459640
C -2.433606 -2.241453 0.734879
C -3.540944 -2.371058 -0.288510
C -2.863097 0.146648 -0.280094
C -3.855623 0.803825 -1.191074
C 1.437519 0.679852 -0.016531
C 2.446918 0.590458 -0.983798
C 1.244807 -0.370382 0.888845
C 3.075956 -1.592235 -0.132115
C 3.264132 -0.536735 -1.043314
C 2.059092 -1.502244 0.833579
C 3.940551 -2.806043 -0.202428
H -4.084562 -0.782949 1.230803
H -2.509879 -2.760801 1.686735
H -1.397204 -2.198140 0.400446
H -3.286156 -2.425309 -1.345101
H -4.410835 -2.985532 -0.070741
H -4.801330 0.246349 -1.241910
H -4.102126 1.820233 -0.853195
H -3.474757 0.871542 -2.220117
H -1.628517 2.257903 -1.230036
H 2.597862 1.412900 -1.694266
H 0.451229 -0.306870 1.643366
H 4.047774 -0.599300 -1.795614
H 1.904981 -2.314219 1.541218
H 4.066416 -3.291147 0.775704
H 3.501807 -3.556346 -0.879148
H 4.948374 -2.583956 -0.580534


%chk=000277898-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000277898

0 1
S 0.311393 1.702104 0.431664
O -0.156219 1.563045 1.985579
O 0.821922 3.115708 -0.198733
N -1.900661 0.197147 -0.251724
N -1.134173 1.202704 -0.807223
C -3.911208 -1.098027 0.009423
C -3.700528 -1.422237 1.515271
C -3.161251 -2.375311 0.458681
C -3.163373 0.035858 -0.607042
C -3.857760 0.937499 -1.612246
C 1.569236 0.360022 0.078588
C 2.461109 0.549257 -0.988748
C 1.586903 -0.765772 0.915916
C 3.479438 -1.624149 -0.415023
C 3.421823 -0.457706 -1.224320
C 2.557214 -1.758642 0.656484
C 4.498085 -2.712088 -0.701658
H -4.922987 -1.238576 -0.381557
H -4.579307 -1.716633 2.096425
H -2.979529 -0.783772 2.033646
H -2.082552 -2.367775 0.280392
H -3.663781 -3.334919 0.306047
H -4.917754 0.666392 -1.732253
H -3.816557 2.002238 -1.298937
H -3.364374 0.875786 -2.601722
H -1.601552 2.124373 -0.990504
H 2.417054 1.459851 -1.594575
H 0.881804 -0.846803 1.748848
H 4.136972 -0.334076 -2.045634
H 2.598656 -2.647536 1.296319
H 4.757462 -3.276667 0.210356
H 4.099895 -3.438234 -1.436707
H 5.428800 -2.295561 -1.124432


