%chk=000285403.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285403

0 1
S 9.082738 -1.283756 -0.305526
O 2.268935 -0.814444 -0.295804
N 1.228363 0.986273 0.746479
N 3.588931 0.826032 0.693282
N -4.195344 -0.344515 -0.175481
N -5.126008 0.352748 0.298636
C -0.134484 0.628034 0.504960
C 4.880900 0.278543 0.406879
C -0.506905 -0.533843 -0.194110
C -1.119503 1.509073 1.007096
C 5.995654 1.038758 0.825490
C 5.059107 -0.950108 -0.251920
C -2.843871 0.058830 0.106135
C 2.355106 0.228452 0.320759
C 7.453743 -0.661919 -0.078095
C -1.855301 -0.814837 -0.392027
C -2.465108 1.221236 0.806800
C 7.282167 0.560592 0.576151
C 6.352635 -1.417151 -0.488714
C -6.482038 -0.049358 0.005149
C -7.463031 0.582451 0.794405
C -6.855230 -0.961400 -0.998937
C -8.810345 0.292306 0.574822
C -8.207570 -1.237340 -1.208276
C -9.184091 -0.614150 -0.423901
C 9.405706 -0.920232 -2.049253
H 1.370488 1.852092 1.269273
H 3.589085 1.712111 1.200870
H 0.255458 -1.219476 -0.583795
H -0.840396 2.409670 1.548825
H 5.866546 1.988450 1.337372
H 4.195942 -1.541989 -0.576584
H -2.152903 -1.716307 -0.934678
H -3.234055 1.896439 1.192045
H 8.147925 1.144492 0.896415
H 6.493836 -2.376204 -0.992573
H -7.164684 1.289948 1.568856
H -6.089883 -1.447187 -1.606439
H -9.573637 0.775297 1.183526
H -8.501656 -1.941957 -1.985233
H -10.237413 -0.834221 -0.590862
H 9.363002 0.154192 -2.254977
H 8.698859 -1.432767 -2.709691
H 10.417528 -1.277958 -2.280150


%chk=000285403-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000285403

0 1
S 9.360448 -1.065663 -0.208777
O 2.297518 -1.071537 -0.478321
N 1.213129 0.700395 0.643334
N 3.543988 0.603351 0.621320
N -4.291072 -0.411096 -0.218907
N -5.164892 0.407490 0.316293
C -0.149695 0.389509 0.407038
C 4.876959 0.166853 0.379598
C -0.583200 -0.732129 -0.352080
C -1.118680 1.272292 0.975497
C 5.925130 0.980115 0.891104
C 5.197503 -1.023795 -0.327361
C -2.928466 -0.075015 0.035417
C 2.350135 -0.010581 0.205460
C 7.595192 -0.566303 -0.007563
C -1.961287 -0.948475 -0.527731
C -2.487733 1.047921 0.795801
C 7.272521 0.618120 0.695513
C 6.550731 -1.379296 -0.505591
C -6.533071 0.067527 0.056277
C -7.492165 0.940919 0.634635
C -6.964517 -1.048846 -0.716809
C -8.870278 0.705644 0.446168
C -8.340996 -1.275887 -0.900222
C -9.298613 -0.402870 -0.321552
C 9.623948 -0.581975 -2.021339
H 1.363738 1.540741 1.206353
H 3.474577 1.470284 1.158779
H 0.156615 -1.406548 -0.784105
H -0.782855 2.138670 1.561728
H 5.689015 1.900262 1.442124
H 4.394891 -1.652074 -0.715877
H -2.318719 -1.805326 -1.108164
H -3.237491 1.717643 1.227205
H 8.074649 1.250163 1.089346
H 6.795418 -2.309627 -1.029415
H -7.130258 1.790431 1.223432
H -6.208799 -1.708994 -1.153222
H -9.607106 1.381297 0.893996
H -8.677492 -2.133389 -1.494081
H -10.368435 -0.588007 -0.469831
H 9.499681 0.504540 -2.144239
H 8.913609 -1.125620 -2.662507
H 10.655625 -0.876217 -2.271529


