%chk=000243382.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243382

0 1
S 1.824123 0.613193 -2.072559
O 1.349486 -0.453597 -2.930770
O 2.626382 1.660520 -2.669887
O -0.360150 1.453523 1.181191
N 0.430162 1.490967 -1.449184
N -0.554613 0.608227 -0.975366
C 2.572006 -0.043268 -0.676671
C -0.061978 2.653356 -2.246957
C 3.265844 -1.257887 -0.792414
C 2.521345 0.610783 0.559448
C 3.878900 -1.140239 1.551857
C 3.917907 -1.803417 0.309153
C 3.172952 0.066225 1.668649
C -0.962011 0.765513 0.384517
C -0.816671 3.610958 -1.366029
C -2.145159 -0.088433 0.730129
C 4.588172 -1.726618 2.725833
C -2.163027 -1.457098 0.432291
C -3.225358 0.508353 1.394800
C -3.273018 -2.227211 0.791121
C -4.333786 -0.266548 1.746250
C -1.727724 4.459699 -1.834806
C -4.358023 -1.632439 1.443888
H 0.846116 3.179623 -2.654822
H -0.667841 2.340232 -3.126780
H 3.290419 -1.786789 -1.751857
H 1.950144 1.544175 0.678643
H -1.262560 0.304471 -1.661745
H 4.457972 -2.742991 0.212021
H 3.121936 0.583139 2.626011
H -0.541329 3.569142 -0.305554
H 5.678909 -1.711507 2.576265
H 4.386109 -1.187969 3.661875
H 4.301050 -2.775515 2.891479
H -1.313027 -1.922586 -0.069856
H -3.193419 1.570770 1.642481
H -3.290763 -3.292180 0.562776
H -5.176625 0.193494 2.260547
H -2.250249 5.166909 -1.206168
H -2.019132 4.527424 -2.872479
H -5.222870 -2.235105 1.720677


%chk=000243382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243382

0 1
S 1.351610 0.175665 -1.392935
O 0.260188 -1.062051 -1.377071
O 2.092800 0.580266 -2.807624
O -0.832879 0.293445 1.673813
N 0.013237 1.785091 -0.547602
N -1.183486 1.131732 -0.492243
C 2.704879 -0.147020 -0.123988
C 0.032474 2.826786 -1.635915
C 2.343838 -0.341834 1.219762
C 4.029986 -0.172853 -0.587360
C 4.742838 -0.655209 1.724857
C 3.383798 -0.598552 2.139078
C 5.048480 -0.435285 0.356447
C -1.506675 0.284451 0.608755
C -0.589062 4.104814 -1.108608
C -2.729087 -0.548887 0.388071
C 5.840499 -0.948425 2.731627
C -2.987639 -1.172305 -0.862528
C -3.612446 -0.756051 1.478978
C -4.144228 -1.965818 -1.022955
C -4.769043 -1.544077 1.309596
C -1.597257 4.768662 -1.725568
C -5.040964 -2.144262 0.056191
H 1.098635 2.979499 -1.884293
H -0.478640 2.491243 -2.564731
H 1.299081 -0.273391 1.546999
H 4.247956 0.003695 -1.645718
H -1.808748 1.100788 -1.313453
H 3.133059 -0.750081 3.195478
H 6.091747 -0.469647 0.022328
H -0.160674 4.484711 -0.171677
H 5.764666 -1.985990 3.108645
H 6.843096 -0.825455 2.288360
H 5.770473 -0.279325 3.608702
H -2.247742 -1.103006 -1.668860
H -3.377982 -0.296426 2.444897
H -4.333563 -2.461979 -1.980876
H -5.455227 -1.694421 2.149945
H -1.995842 5.703579 -1.317171
H -2.044005 4.407894 -2.660535
H -5.937551 -2.760672 -0.072820


