%chk=000252497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252497

0 1
S 1.950583 1.946564 0.657467
O -3.333182 -1.454907 -0.189273
O 2.142571 2.880793 -0.416882
O 2.425552 2.277041 1.988812
O -0.317214 0.933773 -1.061276
N 0.223400 1.828993 0.975486
N -2.068797 1.601851 0.293585
C 2.446734 0.371292 0.228706
C 2.248133 -0.114725 -1.070496
C 3.084432 -0.436832 1.182712
C 3.320475 -2.204707 -0.461061
C -3.072625 0.932796 -0.570908
C 2.683784 -1.395053 -1.415040
C 3.519744 -1.714477 0.844591
C -0.701272 1.403954 0.001285
C -3.772016 -0.162502 0.146435
C 3.799340 -3.568210 -0.829721
C -4.767150 -0.230064 1.089608
C -4.978090 -1.628269 1.372476
C -4.101544 -2.328271 0.584924
H 1.736704 0.507828 -1.820254
H 3.246234 -0.056774 2.199236
H -0.120941 2.217024 1.863376
H -2.570726 0.541034 -1.499282
H -3.805639 1.707432 -0.908715
H 2.522186 -1.763620 -2.426737
H 4.016097 -2.334318 1.588422
H -2.371100 1.789143 1.246323
H 3.798213 -4.261615 0.022762
H 3.188826 -4.029842 -1.618851
H 4.833280 -3.526554 -1.208481
H -5.307963 0.579626 1.538898
H -5.694720 -2.016203 2.070469
H -3.865310 -3.355301 0.417707


%chk=000252497-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252497

0 1
S 1.923695 1.839121 0.707877
O -3.731885 -1.372884 0.641717
O 2.015316 2.924627 -0.484203
O 2.477312 2.182674 2.199703
O -0.429849 0.799504 -1.058900
N 0.154063 1.472613 1.104423
N -2.108428 1.254976 0.510093
C 2.654800 0.194480 0.155019
C 2.492927 -0.212174 -1.177951
C 3.382442 -0.523239 1.116774
C 3.858449 -2.197510 -0.631410
C -3.203409 0.831956 -0.385153
C 3.107491 -1.425001 -1.558060
C 3.983736 -1.732652 0.704735
C -0.782693 1.161056 0.103779
C -4.185883 -0.084164 0.276135
C 4.536494 -3.482726 -1.068770
C -5.525892 0.038512 0.613540
C -5.939145 -1.215097 1.212944
C -4.828503 -2.040349 1.215745
H 1.892220 0.379129 -1.873516
H 3.483256 -0.140874 2.137468
H -0.079933 1.790546 2.052076
H -2.713364 0.351394 -1.251638
H -3.756548 1.712699 -0.763957
H 2.994833 -1.777578 -2.589453
H 4.558991 -2.318832 1.430285
H -2.349616 1.582112 1.446266
H 4.664020 -4.182711 -0.225115
H 3.961209 -3.996386 -1.858473
H 5.543484 -3.274233 -1.479388
H -6.146503 0.917890 0.449890
H -6.928775 -1.465471 1.589488
H -4.636314 -3.054507 1.554333


