%chk=000267918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267918

0 1
S 0.092222 1.812890 0.598050
O 0.377324 2.916188 -0.276688
O 0.086549 1.961758 2.030097
O 0.154126 -0.277712 -1.772285
O 4.271790 -2.013887 -0.664079
N -1.368942 1.112883 0.146543
N 2.369926 0.518448 0.934561
N 2.189216 -1.176637 -1.279165
N 3.345251 -0.346442 0.653849
C -2.200125 0.359689 1.124083
C -3.690694 0.522772 0.755713
C -1.806068 -1.134434 1.188580
C -4.091083 -0.270644 -0.493900
C -2.199403 -1.900149 -0.079867
C -3.697307 -1.748770 -0.375769
C 1.313853 0.561962 0.170251
C 1.102490 -0.267863 -1.022884
C 3.347842 -1.262050 -0.472993
H -2.031556 0.817859 2.140052
H -3.920708 1.596662 0.607641
H -4.302912 0.195367 1.618431
H -2.306941 -1.589779 2.066181
H -0.723573 -1.240319 1.378346
H -3.617661 0.173529 -1.391213
H -5.182272 -0.182539 -0.655962
H -1.943412 -2.970088 0.032214
H -1.607933 -1.532286 -0.943847
H -4.289662 -2.232429 0.424416
H -3.952667 -2.282353 -1.310446
H -1.564517 0.881523 -0.838729
H 2.135695 -1.791984 -2.105539
H 4.162654 -0.342861 1.289057


%chk=000267918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267918

0 1
S 0.068285 1.842907 0.605131
O 0.450099 3.044460 -0.409657
O 0.050434 2.026703 2.212375
O 0.330248 -0.065929 -1.955226
O 4.442520 -2.050141 -0.814537
N -1.540788 1.189664 0.124299
N 2.377483 0.290036 1.030784
N 2.396588 -1.035116 -1.409378
N 3.381613 -0.581780 0.679057
C -2.316227 0.418622 1.133840
C -3.815155 0.523471 0.740603
C -1.880810 -1.067301 1.270496
C -4.162405 -0.320061 -0.509829
C -2.228362 -1.906155 0.016348
C -3.733396 -1.796893 -0.331124
C 1.407889 0.470397 0.170980
C 1.290053 -0.190960 -1.146913
C 3.488167 -1.288287 -0.545765
H -2.157837 0.939711 2.095488
H -4.072555 1.586146 0.586175
H -4.409083 0.156246 1.602097
H -2.406778 -1.492892 2.148818
H -0.797676 -1.120002 1.500449
H -3.664775 0.105766 -1.405468
H -5.249883 -0.258150 -0.703910
H -1.951478 -2.964169 0.187623
H -1.628337 -1.561878 -0.851222
H -4.329652 -2.251492 0.487057
H -3.955624 -2.373698 -1.249157
H -1.468805 0.826744 -0.841351
H 2.410629 -1.526218 -2.311232
H 4.127119 -0.701448 1.367849


