%chk=000203292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203292

0 1
S -3.920790 -0.592527 -0.334344
N -6.277186 -1.588365 0.356205
N -6.057205 0.844407 0.320436
C 0.584682 0.414781 -0.202889
C -0.876252 0.432399 0.263530
C 1.512579 -0.151836 0.883570
C -1.799586 0.994936 -0.826187
C 2.940875 -0.162660 0.410295
C -3.246950 1.103521 -0.375868
C 3.451329 -1.278263 -0.271667
C 3.770536 0.945993 0.639604
C 4.776669 -1.284194 -0.713985
C 5.095199 0.934852 0.195170
C 5.601822 -0.179192 -0.481591
C -5.625945 -0.354537 0.147252
H 0.912900 1.436999 -0.475201
H 0.683458 -0.188419 -1.126815
H -0.972258 1.035900 1.187226
H -1.194595 -0.591391 0.544239
H 1.188770 -1.175351 1.162315
H 1.416324 0.444690 1.813407
H -1.447222 2.007425 -1.122254
H -1.715036 0.383727 -1.749115
H -3.350901 1.570047 0.623532
H -3.852850 1.722812 -1.067336
H 2.814028 -2.140102 -0.457488
H 3.382128 1.816593 1.163555
H 5.167695 -2.152660 -1.241244
H 5.734606 1.796968 0.376985
H 6.633232 -0.186275 -0.825683
H -7.284610 -1.605201 0.283709
H -5.846712 -2.433273 0.005433
H -7.013734 1.022397 0.607705


%chk=000203292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203292

0 1
S -4.160258 -0.283409 1.095326
N -5.870489 -1.758012 -0.357274
N -5.405384 0.462155 -1.244921
C 0.449986 0.531811 0.157178
C -0.909613 0.661049 0.878253
C 1.564404 -0.047451 1.073551
C -2.011833 1.253790 -0.025897
C 2.900494 -0.179044 0.357559
C -3.384939 1.387782 0.649855
C 3.222897 -1.352660 -0.372994
C 3.838419 0.886075 0.365139
C 4.443513 -1.459635 -1.077410
C 5.060933 0.785233 -0.337094
C 5.367991 -0.389237 -1.062774
C -5.270878 -0.501604 -0.378923
H 0.772051 1.523527 -0.220678
H 0.338946 -0.118820 -0.733520
H -0.790333 1.298410 1.780148
H -1.234212 -0.337193 1.237648
H 1.232727 -1.036300 1.447625
H 1.669987 0.611367 1.958131
H -1.704034 2.268311 -0.358828
H -2.122101 0.643861 -0.943050
H -3.334049 1.945357 1.600959
H -4.126494 1.844775 -0.029786
H 2.513023 -2.189773 -0.383984
H 3.609207 1.798421 0.930593
H 4.675673 -2.376011 -1.632533
H 5.773980 1.617619 -0.315604
H 6.316402 -0.471063 -1.605809
H -6.555140 -2.012951 -1.066148
H -5.647511 -2.434809 0.370786
H -6.038365 0.272630 -2.043025


