%chk=000257587.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257587

0 1
S -1.033997 -2.168926 1.233025
O -1.326565 -2.401085 2.636988
O -0.767252 -3.300205 0.356103
O 4.219302 -1.712998 1.581324
O 1.526607 0.614359 -1.378233
O -6.404913 1.988787 0.699021
N 2.625653 -0.801444 0.127764
N -5.405019 1.067918 -1.167777
C 1.520557 -1.760189 0.376248
C 0.385849 -1.103930 1.159699
C 4.678521 0.303479 0.242182
C 3.852345 1.013570 -0.674012
C 3.909365 -0.866947 0.787035
C 2.515608 0.331265 -0.751964
C -2.302558 -1.218740 0.551967
C 5.966640 0.712956 0.508432
C 4.311744 2.135726 -1.327913
C -3.193097 -0.532971 1.386840
C -2.469472 -1.160513 -0.836771
C 6.441297 1.866805 -0.161191
C 5.635066 2.559842 -1.056089
C -4.223500 0.234887 0.851371
C -3.492961 -0.402281 -1.396450
C -4.376530 0.305453 -0.546329
C -6.376911 1.871094 -0.505477
C -7.336804 2.540859 -1.445537
H 1.937123 -2.636161 0.933904
H 1.156041 -2.141033 -0.610659
H 0.136897 -0.120307 0.706639
H 0.731445 -0.844024 2.183441
H 6.603285 0.171027 1.209434
H 3.682780 2.682188 -2.031711
H -3.085747 -0.605330 2.477390
H -1.794093 -1.721105 -1.494180
H -4.911670 0.772539 1.514111
H -3.605584 -0.364088 -2.476709
H 7.458884 2.208974 0.035497
H 6.019005 3.446702 -1.563110
H -5.435303 1.022065 -2.190151
H -6.838838 3.226340 -2.144777
H -8.060472 3.146127 -0.870585
H -7.925328 1.822816 -2.033290


%chk=000257587-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257587

0 1
S -1.037813 -2.575089 1.122921
O -1.726714 -3.236507 2.451324
O -0.526941 -3.507893 -0.128971
O 4.408616 -1.186949 2.055799
O 1.258123 -0.209819 -1.305079
O -6.690026 1.583916 0.488728
N 2.631114 -0.957488 0.486043
N -4.992386 1.471496 -1.130870
C 1.781548 -2.053089 0.970465
C 0.550352 -1.553579 1.739192
C 4.422407 0.513842 0.232270
C 3.477417 0.801178 -0.783731
C 3.897485 -0.616305 1.063360
C 2.317038 -0.133063 -0.630248
C -2.242121 -1.288781 0.450145
C 5.621735 1.232805 0.340837
C 3.700420 1.816736 -1.724898
C -3.403136 -1.031470 1.194684
C -1.965402 -0.679160 -0.786349
C 5.856985 2.263270 -0.607142
C 4.911628 2.550374 -1.624162
C -4.343468 -0.108141 0.692182
C -2.904834 0.243711 -1.281183
C -4.094101 0.534605 -0.552798
C -6.209948 1.945861 -0.623331
C -6.931041 2.940036 -1.529671
H 2.412466 -2.693223 1.608219
H 1.435191 -2.659425 0.106036
H 0.293180 -0.505649 1.524681
H 0.545421 -1.762396 2.819099
H 6.344985 1.001233 1.128836
H 2.965025 2.028496 -2.507249
H -3.572724 -1.558063 2.140062
H -1.048437 -0.903252 -1.339860
H -5.259084 0.119313 1.239899
H -2.712797 0.739501 -2.240842
H 6.782639 2.846110 -0.554616
H 5.122061 3.350106 -2.342112
H -4.710400 1.842693 -2.040810
H -6.354681 3.237560 -2.422844
H -7.174608 3.842855 -0.944818
H -7.887776 2.497145 -1.857701


