%chk=000286905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000286905

0 1
S 0.267524 2.129142 0.474562
O 0.929468 0.573519 -0.024445
O 0.884698 3.099542 -0.383089
O 0.521957 2.160358 1.880119
O 1.851275 -3.314894 0.214545
O 0.330412 -1.792050 0.322431
N 1.496842 -2.143693 0.215092
C -3.732754 -1.223787 0.060628
C -3.187472 0.202210 -0.083182
C -3.638962 -1.890451 -1.325106
C -5.199883 -1.188091 0.531840
C -2.916815 -2.036754 1.079123
C -1.852445 0.499612 0.234919
C -3.995632 1.230048 -0.589477
C -1.349409 1.794354 0.065071
C -3.491770 2.525576 -0.768419
C -2.167048 2.812496 -0.446423
C 2.230078 0.253361 -0.004677
C 2.535793 -1.127444 0.085345
C 3.262663 1.208843 -0.119400
C 3.891324 -1.531888 0.055469
C 4.581544 0.781762 -0.136352
C 4.900297 -0.589330 -0.048851
H -4.025006 -2.915236 -1.298089
H -4.206740 -1.343506 -2.083211
H -2.598364 -1.948393 -1.668041
H -5.863474 -0.730135 -0.207855
H -5.576860 -2.201565 0.712250
H -5.303976 -0.632457 1.469945
H -3.317149 -3.050433 1.190319
H -1.864619 -2.155085 0.771768
H -2.921999 -1.573899 2.070909
H -1.186686 -0.302760 0.600023
H -5.035176 1.024007 -0.856933
H -4.138180 3.307490 -1.166174
H -1.773116 3.820249 -0.602907
H 3.021714 2.272589 -0.218812
H 4.119201 -2.603182 0.119189
H 5.387597 1.514915 -0.223820
H 5.943350 -0.901640 -0.065585


%chk=000286905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000286905

0 1
S 0.330321 1.856952 0.764903
O 1.333684 1.018151 -0.802472
O 0.669003 3.441738 0.773377
O 0.686349 0.936782 2.052934
O 1.899559 -2.608282 1.397051
O 0.504632 -1.521636 -0.032068
N 1.653145 -1.676020 0.536820
C -3.984311 -1.303407 0.030876
C -3.300847 0.074992 -0.112324
C -4.284166 -1.859133 -1.395415
C -5.319604 -1.141235 0.817376
C -3.090621 -2.324744 0.780031
C -1.974730 0.301515 0.334218
C -3.983906 1.161001 -0.730922
C -1.418230 1.574637 0.146948
C -3.385605 2.427959 -0.899965
C -2.062343 2.661742 -0.459830
C 2.561684 0.501697 -0.467894
C 2.766692 -0.771414 0.168041
C 3.715593 1.275722 -0.788195
C 4.070728 -1.236426 0.450300
C 5.012346 0.799534 -0.526802
C 5.191463 -0.459576 0.099563
H -4.784688 -2.841977 -1.318027
H -4.946504 -1.185034 -1.968429
H -3.350098 -1.991774 -1.970644
H -6.020999 -0.454567 0.309722
H -5.819879 -2.122597 0.911967
H -5.134258 -0.749829 1.834251
H -3.621008 -3.291541 0.850120
H -2.132818 -2.504642 0.259323
H -2.865427 -1.993549 1.810837
H -1.388514 -0.492175 0.802669
H -5.008148 1.014822 -1.091425
H -3.944414 3.239033 -1.378003
H -1.567786 3.630912 -0.570710
H 3.545912 2.252836 -1.250932
H 4.180891 -2.205383 0.944508
H 5.881247 1.409147 -0.795485
H 6.197856 -0.830832 0.316404


