%chk=000216912.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216912

0 1
S 5.062566 1.116883 0.256905
O 0.625679 1.398683 0.253680
N 2.000780 1.440233 0.268303
N -1.126048 -0.284391 0.067233
C 2.470057 0.181202 0.142093
C 3.869526 -0.147249 0.118674
C 1.356212 -0.746365 0.038150
C 0.227721 0.033732 0.110042
C -3.480464 0.206954 0.099522
C 4.481605 -1.366982 -0.001745
C -2.063813 0.617237 0.152177
C -4.471557 1.202803 0.193670
C -3.859075 -1.138871 -0.040764
C 5.918874 -1.277379 0.017887
C 6.381769 -0.000918 0.151916
C -5.820816 0.851213 0.147520
C -5.212827 -1.483194 -0.086208
C -6.193166 -0.491475 0.007600
H 1.423133 -1.811380 -0.070966
H 3.965578 -2.312012 -0.102264
H -1.890388 1.703836 0.264428
H -4.189826 2.249905 0.302727
H -3.090421 -1.913307 -0.113989
H 6.543471 -2.156660 -0.067593
H 7.404634 0.333677 0.193629
H -6.586295 1.622705 0.220476
H -5.502029 -2.527918 -0.195072
H -7.248080 -0.761962 -0.028032


%chk=000216912-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216912

0 1
S 5.156323 1.182757 0.269575
O 0.623628 1.461442 0.253637
N 2.072845 1.517442 0.272231
N -1.106739 -0.267881 0.062093
C 2.479032 0.214904 0.142238
C 3.894118 -0.112388 0.122140
C 1.364562 -0.690209 0.039126
C 0.217174 0.088071 0.109161
C -3.490861 0.208906 0.095852
C 4.485858 -1.368598 -0.002529
C -2.086483 0.615220 0.146162
C -4.505438 1.203369 0.193038
C -3.865915 -1.159457 -0.045775
C 5.923883 -1.339876 0.015191
C 6.443414 -0.060622 0.153567
C -5.867348 0.840353 0.150650
C -5.225653 -1.517836 -0.087613
C -6.230532 -0.520494 0.010548
H 1.392763 -1.770385 -0.071180
H 3.904594 -2.289013 -0.104443
H -1.884293 1.696947 0.259848
H -4.218675 2.257084 0.302330
H -3.071317 -1.908809 -0.119011
H 6.549206 -2.231604 -0.071284
H 7.485567 0.253347 0.196852
H -6.642733 1.610312 0.226365
H -5.511538 -2.569949 -0.196460
H -7.288642 -0.804033 -0.022313


