%chk=000221791.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221791

0 1
O 3.276083 -1.479494 -0.075072
N 0.721606 -0.424611 -0.111455
N 1.816393 0.366743 0.174048
N 4.161898 0.565488 0.489110
C -1.590664 -0.993583 -0.290967
C -2.654470 -0.202894 -1.079164
C -3.149418 1.041359 -0.331927
C -1.981310 1.958408 0.053096
C -0.939839 1.203557 0.892461
C -0.488928 -0.044352 0.174117
C -2.179029 -1.736916 0.911567
C 3.083196 -0.308603 0.160609
H -1.144148 -1.757678 -0.984791
H -3.508327 -0.866519 -1.312275
H -2.225702 0.096837 -2.056227
H -3.706684 0.738201 0.575431
H -3.870791 1.594880 -0.962300
H -2.353863 2.834119 0.616455
H -1.501643 2.359571 -0.861474
H -1.381076 0.909755 1.869125
H -0.096671 1.876902 1.134974
H -1.396353 -2.275646 1.460982
H -2.674715 -1.059522 1.614581
H -2.920204 -2.477609 0.590893
H 1.709196 1.196990 0.772991
H 5.085167 0.176404 0.319986
H 4.105897 1.545812 0.258025


%chk=000221791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221791

0 1
O 3.388048 -1.244043 -0.736989
N 0.734659 -0.527969 -0.092233
N 1.836365 0.229577 0.285139
N 4.137244 0.598204 0.481603
C -1.617761 -1.023768 -0.243485
C -2.685353 -0.241603 -1.064924
C -3.152760 1.051280 -0.354959
C -1.950123 1.966297 -0.029837
C -0.884010 1.223251 0.827998
C -0.480753 -0.092653 0.168574
C -2.236070 -1.736102 0.992444
C 3.134357 -0.226081 -0.045156
H -1.167519 -1.801899 -0.887086
H -3.550032 -0.904075 -1.264678
H -2.250497 0.028637 -2.048418
H -3.690848 0.800555 0.581160
H -3.873063 1.594200 -0.996559
H -2.286491 2.873487 0.508048
H -1.480239 2.301649 -0.975914
H -1.316864 1.009806 1.826924
H -0.024569 1.901156 0.998413
H -1.462157 -2.308677 1.533558
H -2.695496 -1.025321 1.703468
H -3.022795 -2.443002 0.669402
H 1.728151 1.119708 0.787898
H 5.095401 0.339494 0.261574
H 3.968774 1.375490 1.116835


