%chk=000229178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229178

0 1
S 0.634611 2.536930 -0.053701
O 1.141105 2.842069 1.256607
O 0.371759 3.616253 -0.982509
O -4.222563 -1.843731 1.156295
O -5.212204 -0.618389 -0.327478
N 1.763185 1.546128 -0.933127
N 2.013907 0.371038 -0.260086
N -4.260594 -0.906102 0.377672
C -0.783515 1.534106 0.079311
C -0.808629 0.482867 0.998037
C -1.884917 1.800979 -0.738930
C -3.045545 -0.047988 0.277142
C -1.949491 -0.321592 1.103043
C -3.031780 1.007704 -0.643977
C 3.001099 -0.422721 -0.574925
C 2.325907 -2.742264 0.088054
C 3.132073 -1.673286 0.198056
C 4.049727 -0.177335 -1.618860
C 2.561725 -3.972366 0.908827
C 1.167313 -2.817031 -0.853200
H 0.062920 0.275988 1.634544
H -1.854757 2.633807 -1.455304
H 2.499252 1.979342 -1.510991
H -1.988944 -1.151856 1.816362
H -3.906721 1.201208 -1.274054
H 3.975500 -1.660383 0.891372
H 4.673455 0.692858 -1.371448
H 4.730498 -1.034577 -1.725473
H 3.603358 -0.006322 -2.608799
H 3.511002 -3.947281 1.459839
H 2.573616 -4.877240 0.285389
H 1.763213 -4.103943 1.654019
H 1.473426 -3.260632 -1.811819
H 0.744594 -1.826528 -1.078098
H 0.347716 -3.431713 -0.458990


%chk=000229178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229178

0 1
S 0.490956 1.673261 0.610095
O 0.889209 0.859411 1.972215
O 0.615406 3.299443 0.472806
O -5.741940 -0.954903 -0.266438
O -6.002920 1.022839 -1.372594
N 1.506153 0.843975 -1.055177
N 2.022390 -0.341872 -0.674454
N -5.302906 0.181170 -0.690840
C -1.294592 1.212161 0.207676
C -1.779751 -0.021161 0.674347
C -2.061103 2.126573 -0.534090
C -3.893398 0.544299 -0.374004
C -3.114413 -0.363818 0.376276
C -3.396743 1.785350 -0.829770
C 3.182038 -0.832415 -1.132627
C 3.224060 -2.863418 0.418768
C 3.694900 -2.102087 -0.634449
C 3.951095 -0.096524 -2.219500
C 3.928881 -4.153649 0.782452
C 2.021039 -2.498968 1.258713
H -1.137124 -0.676709 1.269831
H -1.628716 3.081832 -0.847347
H 2.194772 1.627536 -1.219427
H -3.555546 -1.306396 0.709631
H -4.049341 2.452819 -1.397894
H 4.579083 -2.473106 -1.168967
H 4.211306 0.933600 -1.895327
H 4.889734 -0.613439 -2.469683
H 3.344209 -0.001290 -3.139849
H 4.788873 -4.367690 0.125508
H 3.226186 -5.008985 0.727833
H 4.288721 -4.116345 1.829880
H 1.879822 -3.216984 2.085165
H 1.105421 -2.481881 0.635233
H 2.095541 -1.474634 1.668805


