%chk=000229228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229228

0 1
S -2.987006 -1.721877 0.635778
O -4.067728 -2.528643 0.095269
O -2.637186 -1.850931 2.027182
N -1.640422 -2.301283 -0.328265
N -0.485171 -1.621720 -0.135768
N -3.702490 3.921511 -0.878161
C 5.503896 1.042711 0.106495
C 4.220021 0.258210 -0.087638
C 5.195905 2.519382 0.386411
C 6.345980 0.424639 1.229887
C 3.973761 -0.382172 -1.312138
C 3.269531 0.156490 0.939206
C 1.851105 -1.211513 -0.477212
C 2.801203 -1.113099 -1.507743
C 2.094100 -0.571089 0.748986
C -3.182139 -0.092785 0.194945
C 0.626857 -2.004577 -0.704815
C -4.245127 0.284283 -0.643529
C -2.290356 0.886489 0.665073
C -3.527524 2.593847 -0.526815
C -4.431110 1.608152 -1.008201
C -2.449311 2.219647 0.317564
H 6.105682 0.992730 -0.838575
H 4.659221 2.652206 1.332133
H 6.115857 3.110317 0.446447
H 4.572527 2.949722 -0.405579
H 6.543671 -0.636331 1.037583
H 7.311420 0.932133 1.326330
H 5.843045 0.489642 2.201043
H 4.700923 -0.312209 -2.119301
H 3.449912 0.646333 1.894741
H 2.623282 -1.602371 -2.463419
H 1.360825 -0.647834 1.552966
H 0.749239 -2.878846 -1.356850
H -4.940810 -0.482191 -1.011587
H -1.455187 0.593723 1.314597
H -1.681698 -3.181527 -0.859980
H -5.257989 1.887898 -1.653226
H -1.753046 2.966635 0.686093
H -4.447503 4.209086 -1.485086
H -3.069059 4.633608 -0.564942


%chk=000229228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229228

0 1
S -2.868495 -1.674637 0.473952
O -3.970977 -2.748443 -0.063031
O -2.213502 -1.766269 1.960527
N -1.498824 -1.858146 -0.909582
N -0.308930 -1.297501 -0.549136
N -4.875984 3.961050 -0.367954
C 6.015955 0.674843 0.232477
C 4.654900 0.066666 -0.111908
C 6.076597 2.187888 -0.108841
C 6.382086 0.431643 1.722209
C 4.548952 -1.000841 -1.038121
C 3.457943 0.543697 0.495104
C 2.108832 -1.097503 -0.737715
C 3.299142 -1.576799 -1.348668
C 2.208399 -0.020920 0.191025
C -3.472957 0.055602 0.203888
C 0.827872 -1.730624 -1.064278
C -4.435998 0.284662 -0.796384
C -2.961622 1.079774 1.021712
C -4.410304 2.666427 -0.177855
C -4.906506 1.594347 -0.983555
C -3.435288 2.388012 0.829296
H 6.777806 0.160701 -0.387957
H 5.349972 2.762588 0.495160
H 7.084093 2.591333 0.103717
H 5.847171 2.367085 -1.174539
H 6.379077 -0.646288 1.963897
H 7.386774 0.836564 1.945470
H 5.658890 0.930099 2.394178
H 5.456839 -1.385650 -1.518906
H 3.510153 1.367155 1.217717
H 3.243337 -2.404218 -2.067604
H 1.291381 0.346974 0.662429
H 0.853661 -2.575737 -1.780705
H -4.817618 -0.547006 -1.397079
H -2.225154 0.846538 1.796882
H -1.532723 -2.868933 -1.181509
H -5.661025 1.796189 -1.752402
H -3.053562 3.201954 1.456143
H -5.572097 4.166915 -1.078923
H -4.531163 4.729206 0.200768


