%chk=000265184.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265184

0 1
S 2.794553 0.494970 -0.794260
S 0.421941 -1.079917 -1.472929
O 1.136587 -2.232836 -0.894670
O 0.299195 -1.057803 -2.919506
O -5.738751 1.232206 0.352642
N 1.198237 0.280412 -0.917417
N -4.977752 -0.846368 1.012620
C 3.440642 -0.730223 0.374991
C 2.877310 2.011266 0.215764
C 4.960005 -0.719103 0.312522
C 2.796417 3.204876 -0.728625
C 5.554668 -1.812030 1.217731
C 2.923401 4.529831 0.040825
C 7.080009 -1.812852 1.169528
C 2.844818 5.730060 -0.898846
C -1.147677 -0.978391 -0.755257
C -1.959521 0.138652 -0.970854
C -1.605332 -2.029982 0.046130
C -3.688467 -0.847131 0.400340
C -3.229165 0.214924 -0.397060
C -2.870299 -1.979159 0.625858
C -5.939539 0.196250 0.948021
C -7.210305 -0.116451 1.687428
H 3.030193 -1.733983 0.079758
H 3.065958 -0.583509 1.401555
H 3.814822 2.015357 0.798714
H 2.044286 2.040737 0.947836
H 5.363222 0.266982 0.616991
H 5.307183 -0.884396 -0.729201
H 1.829355 3.188084 -1.278530
H 3.585761 3.150473 -1.504832
H 5.168501 -2.804351 0.907573
H 5.210729 -1.668795 2.260443
H 3.878302 4.554356 0.600692
H 2.121588 4.599576 0.802647
H 7.499682 -0.858741 1.506885
H 7.493811 -2.597995 1.813496
H 7.452976 -1.996464 0.154939
H 1.893121 5.755174 -1.443642
H 2.928021 6.672524 -0.345500
H 3.647223 5.716154 -1.645279
H -1.603604 0.967272 -1.592894
H -0.961901 -2.902366 0.220329
H -3.858523 1.094388 -0.570137
H -3.214187 -2.804952 1.241254
H -5.215552 -1.689143 1.541504
H -7.046940 -0.281439 2.760593
H -7.729566 -0.995173 1.281643
H -7.909936 0.733330 1.599489


%chk=000265184-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265184

0 1
S 2.961741 0.542000 -0.860314
S 0.363536 -0.614688 -1.654479
O 1.097841 -2.080913 -1.457117
O 0.122599 -0.078871 -3.180220
O -6.380350 0.701811 -0.031579
N 1.152646 0.613583 -0.505729
N -5.063158 -0.880956 1.100527
C 3.582441 -0.766941 0.417699
C 3.320981 2.165770 0.070438
C 5.103718 -0.950508 0.386948
C 2.950225 3.370544 -0.801635
C 5.548970 -2.078098 1.355240
C 3.158781 4.700276 -0.033940
C 7.079460 -2.279885 1.350417
C 2.795793 5.926475 -0.899240
C -1.310034 -0.661392 -0.799729
C -2.338101 0.160038 -1.286632
C -1.489572 -1.548407 0.274398
C -3.815306 -0.770010 0.425859
C -3.606306 0.111291 -0.670644
C -2.754981 -1.601608 0.886152
C -6.251855 -0.179827 0.866374
C -7.406394 -0.562591 1.790251
H 3.022417 -1.660358 0.089502
H 3.192733 -0.422325 1.391201
H 4.394349 2.133308 0.326649
H 2.699247 2.100252 0.979874
H 5.621639 -0.011322 0.669806
H 5.432721 -1.207099 -0.639095
H 1.892195 3.277700 -1.109028
H 3.563390 3.378015 -1.724111
H 5.046220 -3.021865 1.066713
H 5.207378 -1.838679 2.382220
H 4.213803 4.780123 0.298781
H 2.535508 4.696440 0.882685
H 7.605174 -1.358456 1.664009
H 7.376126 -3.089332 2.041526
H 7.442016 -2.548724 0.340866
H 1.740167 5.882286 -1.224426
H 2.938870 6.867477 -0.338002
H 3.425875 5.973988 -1.806832
H -2.153655 0.809771 -2.148225
H -0.667220 -2.193412 0.598717
H -4.429427 0.736455 -1.019255
H -2.922820 -2.289947 1.724239
H -5.088897 -1.567015 1.858024
H -7.750123 0.339491 2.324908
H -7.153317 -1.340873 2.531157
H -8.251544 -0.918689 1.176351


