%chk=000252682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000252682

0 1
S 3.510947 -1.754828 0.007144
O 2.053194 -0.855714 0.004047
O 3.487151 -2.491809 -1.230653
O 3.497254 -2.466281 1.260028
O -6.278386 -1.525784 0.063894
O -0.110489 0.613532 0.007523
O -6.661106 2.685181 0.030505
O -7.727147 0.717253 0.053740
N -1.553752 -1.194859 0.032479
C 4.628393 -0.471893 -0.010594
C 6.452124 1.659486 -0.039825
C 5.091971 0.074131 1.195395
C 5.079238 0.051741 -1.231232
C -2.804335 -0.523453 0.034344
C 0.856359 -1.625067 0.021081
C 5.999940 1.130244 1.183170
C 5.987181 1.107841 -1.248017
C -0.261788 -0.579026 0.018877
C -3.957815 -1.323534 0.048119
C -2.906659 0.891872 0.022923
C -5.336714 0.718389 0.039040
C -5.214665 -0.697394 0.050308
C 7.429553 2.784130 -0.055219
C -4.151264 1.489940 0.025224
C -6.654877 1.314859 0.042106
H 4.743888 -0.333543 2.152256
H 4.721234 -0.373480 -2.176719
H 0.828441 -2.247944 0.941589
H 0.814951 -2.266694 -0.885868
H 6.357071 1.549114 2.123114
H 6.334354 1.509258 -2.199241
H -1.607011 -2.219013 0.041748
H -3.921218 -2.410093 0.057346
H -1.999776 1.506218 0.012361
H 8.463608 2.402523 -0.054177
H 7.326341 3.422726 -0.944573
H 7.331678 3.441991 0.820613
H -4.242766 2.581993 0.016185
H -7.182936 -1.024845 0.065151
H -7.590868 3.050632 0.033012


%chk=000252682-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000252682

0 1
S 3.705343 -2.365806 1.014394
O 1.991885 -3.139208 0.496220
O 4.835443 -3.216671 0.242184
O 3.662414 -2.230457 2.633017
O -1.108048 2.404272 -1.804403
O -1.113179 -2.843503 2.408786
O -4.884680 2.752180 0.117194
O -3.363534 3.609846 -1.404532
N -0.138249 -1.613856 0.635267
C 3.463795 -0.689657 0.214535
C 2.928834 1.763685 -1.021900
C 2.985104 0.363701 1.013231
C 3.721057 -0.573227 -1.161939
C -1.061074 -0.577426 0.378555
C 1.113017 -3.469616 1.617574
C 2.727420 1.595941 0.376066
C 3.447191 0.671954 -1.770595
C -0.173758 -2.613790 1.596654
C -0.684193 0.387914 -0.585952
C -2.317731 -0.479425 1.054461
C -2.808342 1.577352 -0.213801
C -1.536594 1.468522 -0.880169
C 2.551157 3.063089 -1.701697
C -3.167773 0.587540 0.744524
C -3.670003 2.703376 -0.551669
H 2.823205 0.227637 2.087236
H 4.119973 -1.416527 -1.734314
H 1.626071 -3.288498 2.588064
H 0.848952 -4.540751 1.562068
H 2.345875 2.433482 0.970010
H 3.628373 0.791617 -2.844288
H 0.711352 -1.654768 0.054029
H 0.274606 0.323335 -1.109826
H -2.589647 -1.232051 1.795919
H 2.771398 3.935650 -1.062233
H 3.080639 3.193098 -2.660636
H 1.463181 3.074780 -1.913033
H -4.136679 0.679683 1.243854
H -1.849011 3.103207 -1.907857
H -5.392490 3.551174 -0.187794


