%chk=000274110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000274110

0 1
S -5.968856 -0.415793 1.362262
S -7.274505 -3.103561 0.736414
N -6.756261 0.388917 -0.956308
N -7.186872 -0.890307 -0.856339
C 1.957959 0.581009 0.321957
C 3.303519 0.809184 -0.379966
C 4.443011 0.074726 0.339354
C 0.818618 1.315646 -0.397406
C 5.788618 0.302996 -0.362456
C -0.526797 1.087530 0.304781
C 6.928170 -0.431346 0.356886
C -1.665761 1.822481 -0.414784
C 8.273870 -0.203224 -0.344820
C -3.010627 1.594310 0.288890
C 9.413155 -0.937447 0.374601
C -4.146731 2.324150 -0.436706
C 10.759992 -0.710136 -0.326354
C -5.500188 2.181896 0.282246
C 11.897730 -1.438767 0.385580
C -6.091892 0.840360 0.094968
C -6.875778 -1.486190 0.287119
C -8.175455 -3.727541 -0.691261
H 2.020108 0.920447 1.373831
H 1.736910 -0.502898 0.367845
H 3.524860 1.892874 -0.426663
H 3.241715 0.468954 -1.431714
H 0.756713 0.974932 -1.449107
H 1.040375 2.399220 -0.444521
H 4.222052 -1.009123 0.385492
H 4.504977 0.414396 1.391179
H 6.009774 1.386732 -0.408999
H 5.726887 -0.037074 -1.414214
H -0.464213 1.426234 1.356830
H -0.747979 0.003378 0.349914
H 6.707304 -1.515181 0.403260
H 6.990169 -0.091543 1.408671
H -1.728371 1.479580 -1.466156
H -1.442558 2.905666 -0.463609
H 8.494847 0.880545 -0.391342
H 8.211999 -0.543352 -1.396527
H -2.947616 1.935815 1.339832
H -3.227610 0.508780 0.335503
H 9.476347 -0.598478 1.426417
H 9.193678 -2.021352 0.421796
H -4.237216 1.948220 -1.477123
H -3.904841 3.401886 -0.527610
H 10.981832 0.374023 -0.372449
H 10.698742 -1.050982 -1.378419
H -5.390833 2.429515 1.359419
H -6.206520 2.947043 -0.123955
H 11.727612 -2.520982 0.415398
H 12.010743 -1.096787 1.420601
H 12.854235 -1.270894 -0.121736
H -8.469065 -4.764412 -0.482951
H -7.562969 -3.709291 -1.604378
H -9.080409 -3.137485 -0.896672


%chk=000274110-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000274110

0 1
S -5.846332 -0.568800 1.292008
S -7.344666 -3.262362 0.685326
N -7.113273 0.450301 -0.830685
N -7.553260 -0.888553 -0.748079
C 1.988312 0.577342 0.308861
C 3.355837 0.804347 -0.374250
C 4.522579 0.079396 0.333751
C 0.821682 1.302189 -0.399391
C 5.890108 0.305442 -0.349715
C -0.545563 1.074605 0.284046
C 7.056796 -0.419758 0.358187
C -1.711368 1.799293 -0.425629
C 8.424266 -0.194820 -0.326063
C -3.078628 1.570332 0.258901
C 9.591188 -0.920064 0.381474
C -4.230953 2.303104 -0.462258
C 10.958486 -0.695627 -0.304280
C -5.625454 2.167304 0.219713
C 12.118395 -1.423553 0.409240
C -6.240679 0.800563 0.108006
C -7.010544 -1.546999 0.276381
C -8.565500 -3.661794 -0.698949
H 2.044961 0.918394 1.363915
H 1.774225 -0.511427 0.345981
H 3.570155 1.893147 -0.411566
H 3.299262 0.463134 -1.429236
H 0.765129 0.960704 -1.454231
H 1.035977 2.390986 -0.436780
H 4.308056 -1.009322 0.371453
H 4.579590 0.420826 1.388677
H 6.104861 1.394148 -0.387519
H 5.833096 -0.036061 -1.404613
H -0.489144 1.416202 1.338875
H -0.759492 -0.013990 0.321294
H 6.841740 -1.508360 0.396643
H 7.114458 -0.077838 1.412917
H -1.768421 1.456202 -1.479716
H -1.497103 2.888092 -0.464032
H 8.639499 0.893806 -0.364597
H 8.366530 -0.536867 -1.380795
H -3.022956 1.918281 1.312056
H -3.285324 0.482182 0.298453
H 9.651215 -0.577893 1.436037
H 9.377343 -2.008926 0.420723
H -4.309783 1.946906 -1.507704
H -3.993296 3.384890 -0.511656
H 11.171364 0.392353 -0.343436
H 10.897398 -1.037869 -1.357681
H -5.544271 2.461245 1.283210
H -6.329943 2.866416 -0.266816
H 11.945352 -2.516249 0.432776
H 12.218012 -1.078492 1.455866
H 13.084179 -1.245277 -0.098755
H -8.846446 -4.714064 -0.540489
H -8.073631 -3.521226 -1.670995
H -9.437419 -2.998642 -0.618351


