%chk=000215579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215579

0 1
S 2.259402 0.471216 -1.215516
O -0.491099 2.700558 -1.295321
N -3.834006 -0.327354 -0.164430
N -0.456691 1.245424 0.468539
C -2.359873 -0.139274 -0.361886
C -1.929446 1.082765 0.480497
C -4.224939 -1.742171 -0.441732
C -4.611026 0.601732 -1.038694
C 0.156890 2.020794 -0.518509
C 1.669340 2.021372 -0.499787
C 2.241516 -0.634561 0.158355
C 3.107917 -0.444784 1.236951
C 1.385583 -1.736595 0.098458
C 3.108540 -1.374839 2.281638
C 1.398966 -2.666794 1.143819
C 2.255758 -2.483772 2.234461
H -2.066996 0.010589 -1.423521
H -1.820821 -1.044118 -0.010887
H -2.270425 0.968780 1.533316
H -2.403626 2.011579 0.081576
H 0.073678 0.577427 1.020525
H -3.712101 -2.403437 0.274334
H -4.008114 -2.092975 -1.461027
H -5.306873 -1.854322 -0.263052
H -5.679974 0.515385 -0.787368
H -4.492236 0.430486 -2.118719
H -4.310046 1.640901 -0.825658
H 2.086069 2.218456 0.503805
H 2.042572 2.845293 -1.152522
H 3.785831 0.408514 1.266079
H 0.717742 -1.878526 -0.752828
H 3.778708 -1.238965 3.129603
H 0.741421 -3.534391 1.107110
H 2.261859 -3.208294 3.048388


%chk=000215579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215579

0 1
S 2.410233 0.335255 -1.317720
O -0.532409 2.901509 -1.150529
N -3.941104 -0.346834 -0.233358
N -0.425534 1.036248 0.246118
C -2.493691 -0.166445 -0.485850
C -1.880723 0.924382 0.428090
C -4.438538 -1.654804 -0.707267
C -4.763464 0.768293 -0.751088
C 0.143231 2.002523 -0.560534
C 1.673118 1.970950 -0.663865
C 2.383304 -0.711722 0.204953
C 3.115021 -0.347245 1.362224
C 1.668551 -1.934999 0.174062
C 3.114770 -1.196617 2.491552
C 1.690783 -2.792078 1.300364
C 2.406158 -2.421999 2.462414
H -2.272731 0.091044 -1.552395
H -1.989034 -1.128596 -0.270327
H -2.110507 0.678841 1.480609
H -2.307075 1.914333 0.195925
H 0.174752 0.307437 0.641487
H -3.861977 -2.469087 -0.232793
H -4.371829 -1.783534 -1.817876
H -5.498028 -1.774345 -0.416837
H -5.818667 0.609787 -0.465267
H -4.714059 0.865888 -1.865072
H -4.437768 1.726316 -0.312815
H 2.145637 2.189159 0.309328
H 1.981824 2.732687 -1.394683
H 3.695418 0.582155 1.372708
H 1.107595 -2.209106 -0.725686
H 3.680417 -0.909618 3.384766
H 1.143604 -3.740689 1.269505
H 2.416222 -3.082989 3.335855


