%chk=000229215.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229215

0 1
S 0.572854 3.237950 0.200095
O 0.625539 3.952390 -1.043354
O 1.090330 3.841490 1.408579
O 2.341943 -2.973673 -1.338451
O 3.455973 -2.747591 0.502435
N -1.076532 2.908299 0.632747
N -1.701794 2.068368 -0.240666
N 2.721732 -2.328084 -0.375228
C -3.925814 -0.578168 -0.417625
C -3.524168 0.750064 -1.078328
C -2.730458 -1.363825 0.054051
C 1.257516 1.651167 -0.000027
C -2.941033 1.710318 -0.074532
C -1.921348 -2.043655 -0.870831
C -2.423267 -1.430981 1.421196
C 0.987176 0.924754 -1.161770
C 2.039350 1.106052 1.022661
C 2.239109 -0.922992 -0.257979
C 1.477860 -0.379024 -1.298207
C 2.541392 -0.192322 0.898931
C -0.823753 -2.786442 -0.429715
C -1.326455 -2.179906 1.857638
C -0.526377 -2.860467 0.935393
H -4.507152 -1.184921 -1.144387
H -4.625340 -0.387806 0.421674
H -4.411433 1.220569 -1.551776
H -2.808455 0.555972 -1.906964
H -3.615543 2.024462 0.728706
H 0.379106 1.361824 -1.964550
H 2.259085 1.691809 1.925390
H -2.151590 -1.996562 -1.932874
H -3.038613 -0.903004 2.145887
H -1.564479 3.362253 1.414940
H 1.259568 -0.972199 -2.192670
H 3.152463 -0.640051 1.689907
H -0.195201 -3.313659 -1.150085
H -1.097881 -2.235658 2.920863
H 0.317189 -3.455954 1.278829


%chk=000229215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229215

0 1
S 0.585998 3.291754 -0.104865
O 0.408977 3.691365 -1.668657
O 1.247988 4.298845 0.985582
O 2.903397 -3.091253 -0.577368
O 4.013630 -2.421140 1.298389
N -1.075161 2.774370 0.715825
N -1.818762 2.002112 -0.150440
N 3.217201 -2.204834 0.307117
C -4.189502 -0.521313 -0.161842
C -3.864885 0.855738 -0.839509
C -2.971034 -1.424151 -0.025749
C 1.433925 1.612503 -0.005797
C -3.094465 1.787476 0.059272
C -2.484166 -2.140495 -1.151233
C -2.285204 -1.560292 1.207443
C 1.190359 0.690983 -1.036692
C 2.253749 1.362387 1.106461
C 2.609912 -0.852414 0.183634
C 1.791988 -0.579593 -0.934065
C 2.866727 0.096583 1.198119
C -1.344112 -2.967957 -1.048144
C -1.143806 -2.388379 1.316329
C -0.666994 -3.094625 0.188230
H -4.959857 -1.020255 -0.780802
H -4.645886 -0.338507 0.829974
H -4.821440 1.340751 -1.118574
H -3.286137 0.684418 -1.763636
H -3.634107 2.235350 0.917858
H 0.547674 0.954700 -1.880422
H 2.407859 2.135747 1.865474
H -3.009574 -2.057365 -2.111693
H -2.647926 -1.017462 2.089339
H -1.492127 3.627948 1.147377
H 1.623791 -1.354644 -1.685047
H 3.519675 -0.167525 2.033511
H -0.989069 -3.523131 -1.924041
H -0.631339 -2.485754 2.280380
H 0.214203 -3.741142 0.268163


