%chk=000256567.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256567

0 1
S -1.591914 3.069849 1.266696
O -5.480058 -0.292131 -1.357545
O -5.349335 -2.214188 0.263514
N 2.571692 0.653645 -0.524091
N -0.155355 1.545501 -0.347890
C 1.451993 -0.345545 -0.488810
C 2.225143 1.870253 0.278191
C 0.189147 0.301513 -1.093357
C 0.967505 2.525499 -0.327159
C 3.849431 0.050738 -0.189461
C -1.283749 1.695887 0.380721
C 4.475970 -0.692089 -1.211472
C 4.496182 0.215657 1.045303
C -2.314449 0.630107 0.367568
C 5.729856 -1.255187 -0.992941
C 5.758742 -0.346580 1.251928
C 6.384928 -1.087161 0.240546
C -3.387709 0.734749 -0.546761
C -2.246039 -0.424245 1.271844
C -4.379105 -0.234055 -0.535596
C -3.244997 -1.416404 1.282906
C 7.734248 -1.691516 0.455192
C -4.304989 -1.330953 0.390177
C -5.730752 0.859937 -2.201475
C -5.408988 -3.307421 1.213452
H 1.241845 -0.715031 0.538627
H 1.742437 -1.228812 -1.099142
H 3.076384 2.584713 0.212493
H 2.056048 1.654777 1.356272
H 0.373668 0.574500 -2.159720
H -0.655276 -0.421929 -1.084131
H 0.698519 3.440847 0.254523
H 1.162447 2.852314 -1.374848
H 3.982291 -0.807291 -2.175785
H 4.027416 0.776323 1.851065
H 6.210652 -1.825240 -1.786500
H 6.254291 -0.206840 2.211476
H -3.432443 1.585867 -1.223069
H -1.430047 -0.484551 1.991004
H -3.176928 -2.228756 2.000861
H 8.104605 -1.551684 1.478910
H 7.725449 -2.773485 0.261868
H 8.479385 -1.245729 -0.219840
H -4.938450 0.963850 -2.947220
H -5.844456 1.763646 -1.594869
H -6.682670 0.580986 -2.672635
H -5.496307 -2.923698 2.233924
H -4.543814 -3.964667 1.093541
H -6.333844 -3.813070 0.904119


%chk=000256567-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256567

0 1
S -1.879992 3.403542 0.167170
O -5.997249 0.017870 -1.086824
O -5.540845 -2.199963 0.282431
N 2.624979 0.442529 -0.182814
N -0.100803 1.393569 -0.353792
C 1.501711 -0.508708 -0.333417
C 2.223459 1.703979 0.469746
C 0.317234 0.153795 -1.057753
C 1.019528 2.352464 -0.244631
C 3.942221 -0.059568 0.019711
C -1.410595 1.763366 -0.109699
C 4.412155 -1.190518 -0.714366
C 4.857241 0.562386 0.916840
C -2.435584 0.678254 -0.034137
C 5.726490 -1.664732 -0.554050
C 6.178336 0.080814 1.055518
C 6.645874 -1.040310 0.330771
C -3.710586 0.875581 -0.631409
C -2.204905 -0.509000 0.703146
C -4.723742 -0.094127 -0.523570
C -3.220549 -1.482689 0.835123
C 8.067188 -1.555283 0.480570
C -4.478213 -1.297859 0.219546
C -6.301245 1.258666 -1.806793
C -5.334522 -3.430053 1.051399
H 1.160887 -0.876795 0.663659
H 1.824711 -1.384841 -0.916300
H 3.063122 2.418220 0.417851
H 1.970518 1.549399 1.545359
H 0.635774 0.435206 -2.083017
H -0.529849 -0.542070 -1.130132
H 0.663816 3.236811 0.309167
H 1.320222 2.680001 -1.260516
H 3.759774 -1.686778 -1.440585
H 4.544991 1.412836 1.530109
H 6.051562 -2.532924 -1.141797
H 6.853726 0.586643 1.756884
H -3.885830 1.818551 -1.156109
H -1.250692 -0.652927 1.221196
H -3.027446 -2.378309 1.432704
H 8.620518 -0.990228 1.250779
H 8.084882 -2.622971 0.770562
H 8.632229 -1.467457 -0.467427
H -5.637505 1.387891 -2.683835
H -6.213339 2.139995 -1.142884
H -7.342442 1.143767 -2.141167
H -5.127702 -3.208617 2.116545
H -4.508812 -4.035766 0.629308
H -6.282100 -3.980744 0.963334


