%chk=000239015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239015

0 1
S -0.499161 2.620619 0.188621
O -0.573076 3.564077 -0.923467
O -0.589374 3.105785 1.558173
O 4.889327 -1.297493 1.661286
O -4.978281 -2.386409 1.388297
N 4.600382 -0.386751 -0.439389
N -4.788842 -1.412625 -0.697051
C 0.978823 1.731325 0.025290
C -1.740459 1.434460 -0.048489
C 1.635310 1.691314 -1.209065
C 1.540311 1.083072 1.130403
C -2.195523 0.661699 1.024815
C -2.317839 1.274015 -1.312238
C 3.377701 0.315837 -0.239539
C 2.826424 0.985953 -1.357440
C 2.729575 0.368095 1.008644
C -3.760748 -0.461901 -0.433940
C -3.194982 -0.291752 0.843178
C -3.320153 0.330358 -1.520424
C 5.296360 -1.160560 0.528672
C 6.585932 -1.776117 0.014947
C 6.310122 -2.965290 -0.895016
C -5.352107 -2.324904 0.238243
C -6.434580 -3.186212 -0.346583
H 1.215577 2.229459 -2.067990
H 1.050180 1.143750 2.109429
H -1.773715 0.810324 2.025937
H -1.987352 1.904546 -2.147104
H 3.323640 0.964971 -2.322850
H 3.158131 -0.141943 1.879057
H -3.540155 -0.896226 1.689763
H -3.758014 0.218277 -2.508083
H 4.992212 -0.336794 -1.383578
H -5.149420 -1.421519 -1.654733
H 7.218917 -1.022473 -0.494288
H 7.178498 -2.106094 0.900032
H 5.696862 -3.725179 -0.389258
H 7.246869 -3.456044 -1.191751
H 5.786192 -2.679080 -1.813907
H -7.291477 -2.601498 -0.708403
H -6.824170 -3.871077 0.427715
H -6.077517 -3.815496 -1.172815


%chk=000239015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239015

0 1
S -0.526960 2.529299 0.382203
O -0.628942 3.668317 -0.794734
O -0.567044 2.872843 1.982802
O 5.250946 -1.426120 1.336507
O -5.484876 -2.410754 1.316608
N 4.720493 -0.382978 -0.699248
N -5.145037 -1.296564 -0.723296
C 1.080279 1.585514 0.064279
C -1.928686 1.303669 0.053204
C 1.654448 1.674096 -1.214052
C 1.680421 0.891592 1.125929
C -2.395406 0.511277 1.112767
C -2.503272 1.285050 -1.227863
C 3.495552 0.267197 -0.392214
C 2.870814 1.004005 -1.438866
C 2.898308 0.217291 0.899126
C -4.058945 -0.434847 -0.411796
C -3.468145 -0.374830 0.882059
C -3.574996 0.402975 -1.457029
C 5.536014 -1.162763 0.133300
C 6.830682 -1.649251 -0.531606
C 7.204426 -3.077965 -0.082528
C -5.799742 -2.216067 0.107767
C -6.938372 -2.979687 -0.563440
H 1.174685 2.274878 -1.993391
H 1.220310 0.898449 2.119599
H -1.948648 0.603884 2.108288
H -2.138251 1.963216 -2.005949
H 3.343404 1.059451 -2.427539
H 3.394001 -0.337748 1.696941
H -3.858716 -1.009788 1.678576
H -4.044713 0.370116 -2.448078
H 5.055268 -0.257545 -1.657625
H -5.493554 -1.231974 -1.682242
H 6.759302 -1.592577 -1.635527
H 7.635485 -0.949585 -0.228194
H 7.209079 -3.135426 1.018605
H 8.205252 -3.354598 -0.457354
H 6.475889 -3.818750 -0.456672
H -7.866155 -2.812241 0.009889
H -6.719484 -4.060481 -0.518540
H -7.114713 -2.696083 -1.615563


