%chk=000187720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187720

1 1
S 3.026672 2.456102 -0.476730
O 4.737850 0.851481 0.132669
N 1.854300 0.093670 -0.891352
C -0.470008 -0.454239 -0.473376
C -0.718224 0.890925 -0.066051
C 0.814585 -0.822147 -0.865295
C 3.221971 -0.359938 -1.323194
C 1.633033 1.390016 -0.484022
C 0.356255 1.790159 -0.078295
C -1.525210 -1.489723 -0.478028
C -2.049912 1.352151 0.360849
C 4.152639 -0.396937 -0.178821
C -2.163736 -1.844653 0.720103
C -1.874136 -2.124758 -1.681290
C -3.171706 1.138063 -0.457863
C -2.194395 2.026518 1.587096
C 4.624474 -1.367761 0.670061
C -3.145404 -2.839422 0.711727
C -2.860395 -3.113527 -1.679832
C -4.425270 1.603955 -0.054352
C -3.452818 2.478047 1.987086
C -3.494270 -3.473549 -0.484975
C -4.568136 2.271430 1.166371
C 5.555184 -0.723390 1.559823
C 5.596473 0.601346 1.207953
H 1.033915 -1.860663 -1.165298
H 3.601762 0.331867 -2.128071
H 3.149778 -1.369922 -1.803032
H 0.183631 2.827669 0.238361
H -1.900702 -1.347164 1.653647
H -1.391108 -1.844220 -2.615647
H -3.068192 0.611561 -1.407792
H -1.332369 2.185829 2.234455
H 4.376814 -2.415027 0.689946
H -3.641954 -3.120320 1.642665
H -3.138209 -3.606998 -2.613071
H -5.295997 1.443844 -0.693471
H -3.568393 2.994750 2.941876
H 2.360159 3.634395 -0.550755
H -4.262821 -4.249403 -0.487820
H -5.550573 2.631264 1.480614
H 6.106966 -1.215664 2.343762
H 6.115177 1.475182 1.546068


%chk=000187720-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187720

1 1
S 2.830301 3.098403 -0.561783
O 4.517274 0.347167 0.724698
N 1.840573 0.551541 -0.902927
C -0.429566 -0.232514 -0.412151
C -0.803652 1.118001 -0.050886
C 0.890689 -0.447677 -0.823964
C 3.236790 0.156578 -1.376030
C 1.523467 1.839172 -0.513840
C 0.208647 2.109466 -0.091087
C -1.323490 -1.424408 -0.320185
C -2.180050 1.525200 0.326009
C 4.052925 -0.491340 -0.313127
C -2.041631 -1.702666 0.874369
C -1.410354 -2.333771 -1.408845
C -3.310119 1.038130 -0.391131
C -2.382020 2.469462 1.373532
C 4.507076 -1.785258 -0.103905
C -2.828138 -2.868869 0.973473
C -2.206376 -3.495687 -1.309070
C -4.604230 1.494284 -0.072220
C -3.681080 2.903890 1.705088
C -2.915860 -3.767048 -0.116702
C -4.795984 2.422674 0.978728
C 5.292348 -1.767822 1.111801
C 5.272829 -0.467949 1.586390
H 1.244913 -1.451501 -1.067661
H 3.714356 1.071396 -1.767775
H 3.103428 -0.540835 -2.218049
H -0.053033 3.137303 0.173219
H -1.973132 -1.019833 1.727529
H -0.882266 -2.118287 -2.345897
H -3.175210 0.324875 -1.209592
H -1.528644 2.830040 1.960035
H 4.324992 -2.648132 -0.742851
H -3.369145 -3.079496 1.901604
H -2.276868 -4.182143 -2.158959
H -5.463352 1.127174 -0.642444
H -3.825468 3.611723 2.527408
H 1.957735 4.169983 -0.492895
H -3.532033 -4.668498 -0.037054
H -5.804618 2.765981 1.230661
H 5.807194 -2.610786 1.566921
H 5.708483 0.032873 2.446266


