%chk=000218851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218851

0 1
I 7.478005 -0.643061 0.134146
S -6.165896 -0.630742 -1.475295
O 1.514058 0.886749 -0.279572
N -4.459496 -0.271486 0.566517
N 3.149086 -0.693603 0.329355
C -3.322261 0.562962 0.056119
C -5.675478 0.542673 0.878558
C -2.006596 -0.188040 0.324932
C -4.856417 -1.337943 -0.366467
C -6.526712 0.777686 -0.375129
C -0.802870 0.659512 -0.095547
C 0.498351 -0.086570 0.176674
C 2.816661 0.530732 -0.180115
C 3.761517 1.488869 -0.627391
C 5.104472 1.149643 -0.536501
C 4.473566 -0.997088 0.405768
C 5.463322 -0.103118 -0.015725
H -3.417170 0.811404 -1.023377
H -3.314329 1.531324 0.602412
H -5.386352 1.499070 1.360051
H -6.256371 -0.027218 1.641219
H -2.001897 -1.156079 -0.213253
H -1.944347 -0.446939 1.402267
H -4.022786 -1.723203 -0.981339
H -5.295858 -2.182154 0.204683
H -7.606008 0.804910 -0.149738
H -6.269904 1.718322 -0.890904
H -0.795796 1.629163 0.443637
H -0.863727 0.924623 -1.171245
H 0.678122 -0.294371 1.244632
H 0.616133 -1.008921 -0.415893
H 3.423890 2.443293 -1.021774
H 5.872007 1.854236 -0.868438
H 4.713279 -1.987536 0.819131


%chk=000218851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218851

0 1
I 7.556365 -0.787621 0.212453
S -6.115596 -0.623959 -1.625875
O 1.548893 0.987797 -0.359640
N -4.514677 -0.311250 0.621583
N 3.154650 -0.628848 0.290825
C -3.376608 0.525473 0.142065
C -5.755274 0.447529 0.911506
C -2.016057 -0.170470 0.346477
C -4.884677 -1.394918 -0.255359
C -6.466240 0.813649 -0.437721
C -0.841506 0.725684 -0.109997
C 0.504357 0.032427 0.103840
C 2.868480 0.589581 -0.235738
C 3.863349 1.504454 -0.676603
C 5.210320 1.122265 -0.556080
C 4.465300 -0.993562 0.405651
C 5.516284 -0.148793 -0.004233
H -3.503920 0.797947 -0.931983
H -3.387911 1.464436 0.726629
H -5.521586 1.347280 1.505783
H -6.426535 -0.198287 1.506868
H -1.992191 -1.125099 -0.216443
H -1.912141 -0.430975 1.417457
H -4.029528 -1.838007 -0.782765
H -5.476914 -2.159794 0.267185
H -7.555059 0.913685 -0.305147
H -6.057848 1.738416 -0.877317
H -0.849031 1.678432 0.454174
H -0.951064 0.983674 -1.181064
H 0.687562 -0.209550 1.167151
H 0.592576 -0.903092 -0.479501
H 3.572661 2.471655 -1.093446
H 6.005217 1.797876 -0.883674
H 4.660548 -1.980936 0.835334


