%chk=000298323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298323

0 1
S -0.894571 -1.346386 0.133096
O 0.625986 3.065547 1.087133
O -0.606435 -1.546708 1.539584
O -0.573409 -2.360002 -0.848587
O 1.482852 2.531499 -0.939980
N -0.003699 0.054030 -0.359736
N 6.744759 -1.172494 -0.477202
C 2.147747 0.110250 1.011788
C 0.793465 0.758507 0.663212
C 3.065068 -0.118111 -0.193671
C 4.478045 -0.508835 0.254867
C 1.026431 2.174903 0.117823
C 5.386200 -0.778294 -0.956389
C -2.537624 -0.855947 -0.055257
C -3.192728 -1.068987 -1.272764
C -3.212328 -0.252391 1.011161
C -4.523429 -0.669670 -1.427455
C -4.542984 0.147214 0.857379
C -5.196242 -0.059905 -0.362759
C 0.775669 4.479008 0.787458
H 1.950493 -0.858012 1.525643
H 2.659888 0.737884 1.769715
H 0.184514 0.831344 1.613861
H 3.106572 0.796385 -0.823135
H 2.647276 -0.913968 -0.841995
H 4.445801 -1.415311 0.894560
H 4.913293 0.287007 0.888697
H 0.490819 0.000487 -1.265629
H 5.398000 0.105849 -1.629864
H 4.979271 -1.628142 -1.550223
H -2.669674 -1.557334 -2.102667
H -2.705257 -0.101399 1.970324
H 7.356402 -1.355318 -1.266660
H 7.168411 -0.421671 0.058671
H -5.034927 -0.835038 -2.374796
H -5.069909 0.616952 1.686815
H -6.234474 0.252852 -0.483478
H 0.391642 4.958362 1.693819
H 0.178591 4.730877 -0.094638
H 1.832294 4.707868 0.618380


%chk=000298323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298323

0 1
S -0.786497 -0.982627 0.623757
O 1.486082 3.556362 1.512630
O -0.789111 -1.009350 2.251868
O 0.032896 -2.105683 -0.235801
O 0.997655 3.015184 -0.700932
N -0.268316 0.734762 0.194689
N 6.172777 -1.556888 -1.000377
C 2.121709 0.486356 1.190382
C 0.789679 1.300962 1.077918
C 2.803815 0.143362 -0.151666
C 4.167232 -0.551641 0.067070
C 1.072123 2.692286 0.507372
C 4.854277 -0.942793 -1.257111
C -2.565366 -0.979585 -0.014098
C -2.829500 -1.681526 -1.199922
C -3.540994 -0.315454 0.746207
C -4.167395 -1.702499 -1.660136
C -4.871304 -0.350232 0.269147
C -5.179705 -1.036743 -0.930333
C 1.868894 4.922833 1.071647
H 1.888687 -0.445112 1.741416
H 2.810525 1.070990 1.831864
H 0.363492 1.411826 2.088421
H 2.949958 1.060165 -0.758181
H 2.150410 -0.535363 -0.735284
H 4.040331 -1.466167 0.676637
H 4.837855 0.124524 0.640618
H -0.019185 0.772053 -0.811523
H 4.894952 -0.040419 -1.918470
H 4.225054 -1.689947 -1.777868
H -2.023300 -2.205389 -1.723880
H -3.274855 0.195882 1.676273
H 6.594344 -2.020214 -1.810622
H 6.835116 -0.934218 -0.526564
H -4.414655 -2.240278 -2.581151
H -5.661821 0.155600 0.832933
H -6.213383 -1.058944 -1.292031
H 2.191037 5.431375 1.990450
H 1.001178 5.429289 0.617568
H 2.687107 4.870162 0.334183


