%chk=000291812.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291812

0 1
S 0.945161 1.202368 -0.437619
O -3.193530 -0.547052 -0.180009
O 3.532320 0.529743 -0.348921
O -2.306707 -2.534573 0.412290
O 3.516783 -1.684975 0.156006
O -0.111916 3.229088 -0.825365
N -1.710482 1.655300 -0.519583
C 0.433238 -1.312232 0.044747
C -0.859331 -0.661278 -0.071784
C 1.473569 -0.427924 -0.124171
C -0.723896 0.697700 -0.337525
C 0.583004 -2.757008 0.298910
C -2.106449 -1.384627 0.094409
C 2.895198 -0.669782 -0.071192
C -1.310100 2.999325 -0.780231
C -4.534212 -1.099453 -0.005131
C 4.991951 0.552951 -0.319639
C -4.919305 -1.042583 1.458507
C -2.413349 3.980931 -0.970106
C 5.478009 0.590169 1.115020
H 1.613870 -3.028297 0.592980
H 0.340235 -3.348278 -0.600388
H -0.106421 -3.117236 1.083438
H -2.699112 1.358674 -0.464685
H -4.545068 -2.130538 -0.405590
H -5.131366 -0.425344 -0.643507
H 5.197091 1.486631 -0.874302
H 5.368681 -0.325908 -0.872605
H -5.968636 -1.322277 1.609142
H -4.307016 -1.738065 2.053910
H -4.771689 -0.042353 1.882164
H -3.056533 3.732286 -1.828641
H -2.001171 4.988614 -1.162261
H -3.060929 4.066335 -0.083809
H 5.266001 -0.360491 1.627802
H 4.979035 1.382872 1.687106
H 6.558374 0.762486 1.170138


%chk=000291812-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291812

0 1
S 1.081411 1.350426 -0.462176
O -3.195675 -0.355587 -0.157189
O 3.760011 0.469805 -0.315376
O -2.264225 -2.457782 0.241865
O 3.533830 -1.813903 0.144616
O -0.421596 3.675266 -0.900323
N -1.674548 1.744574 -0.538740
C 0.484373 -1.241017 0.023032
C -0.788483 -0.543284 -0.109897
C 1.572923 -0.382004 -0.136245
C -0.634267 0.843090 -0.368811
C 0.608998 -2.720011 0.298794
C -2.078839 -1.237879 0.016883
C 3.003841 -0.691713 -0.075245
C -1.551323 3.118710 -0.796532
C -4.550562 -0.975240 -0.022143
C 5.243738 0.324561 -0.256481
C -4.999181 -0.997264 1.441016
C -2.878355 3.848920 -0.938756
C 5.747751 0.490347 1.180351
H 1.665997 -3.016246 0.345924
H 0.091243 -3.303590 -0.482738
H 0.105840 -2.980095 1.246980
H -2.607045 1.299230 -0.456919
H -4.502385 -1.993383 -0.443723
H -5.195620 -0.336947 -0.648400
H 5.609084 1.125897 -0.918528
H 5.515639 -0.664201 -0.665996
H -6.029257 -1.394116 1.506882
H -4.342086 -1.648907 2.040099
H -4.992798 0.016874 1.877083
H -3.468295 3.438632 -1.778883
H -2.680050 4.913155 -1.129011
H -3.483974 3.755447 -0.018687
H 5.377594 -0.327495 1.820902
H 5.418144 1.454976 1.603070
H 6.853452 0.465954 1.192808


