%chk=000122023.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122023

0 1
 O    1.670800      0.4855000       1.328300    
 O    5.654200       2.286200     -0.5642000    
 O    7.282400      0.4635000      -1.667500    
 N   -5.868200     -0.9673000      -1.502300    
 N   -6.470100      -1.177500      0.6704000    
 N   -6.245500      -2.206500      -1.157600    
 N   -6.610300      -2.377500      0.1207000    
 C   -5.729800       1.139400     -0.1099000    
 C   -4.256800       1.492200     -0.5022000    
 C   -3.174200      0.8005000      0.3410000    
 C   -1.751500       1.236900     -2.8400000E-02
 C   -6.674800       1.980100      -1.010100    
 C   -5.985000       1.621700       1.339400    
 C   -6.025700     -0.3583000     -0.3244000    
 C  -0.6750000      0.6176000      0.8617000    
 C   0.7157000       1.105300      0.4779000    
 C    2.923400      0.2854000      0.8091000    
 C    3.456000     -0.9997000      0.7058000    
 C    2.673600      -2.188300       1.158100    
 C    3.667300       1.385000      0.3813000    
 C    4.732300      -1.185200      0.1746000    
 C    5.476100     -8.5400000E-02 -0.2534000    
 C    4.943600       1.199600     -0.1500000    
 C    1.814400      -2.774700      4.1800000E-02
 C    6.806300     -0.3005000     -0.8056000    
 C    7.650900      -1.478200     -0.3347000    
 H   -4.087400       1.240200      -1.557600    
 H   -4.116200       2.578900     -0.4236000    
 H   -3.252800     -0.2870000      0.2292000    
 H   -3.329000       1.024500       1.401700    
 H   -1.556900      0.9716000      -1.074900    
 H   -1.685600       2.330100      3.8699999E-02
 H   -6.511200       3.054500     -0.8685000    
 H   -6.515400       1.758100      -2.071700    
 H   -7.726600       1.766200     -0.7862000    
 H   -5.433200       1.021900       2.070700    
 H   -5.699900       2.671200       1.472000    
 H   -7.046500       1.528300       1.599200    
 H  -0.8673000      0.8595000       1.914300    
 H  -0.7128000     -0.4765000      0.7935000    
 H   0.7821000       2.192200      0.6026000    
 H   0.9124000      0.8602000     -0.5739000    
 H   -6.253800      -2.970500      -1.824900    
 H    3.355800      -2.962700       1.531600    
 H    2.037900      -1.929000       2.013400    
 H    3.256500       2.387700      0.4694000    
 H    5.126000      -2.194600      8.5400000E-02
 H    1.094000      -2.041100     -0.3343000    
 H    1.256200      -3.641000      0.4106000    
 H    2.431400      -3.102200     -0.8019000    
 H    5.124700       3.088400     -0.4160000    
 H    8.709400      -1.215900     -0.4249000    
 H    7.457200      -1.699600      0.7184000    
 H    7.438300      -2.352900     -0.9540000    


%chk=000122023-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122023

0 1
O 1.508913 -0.323421 0.492869
O 5.265118 1.969431 -1.684098
O 7.727321 0.913052 -1.253644
N -5.648472 -0.433131 -1.647584
N -7.523787 -0.556045 -0.328033
N -6.473574 -1.474743 -1.984206
N -7.618358 -1.582620 -1.207087
C -5.915737 1.386137 0.139975
C -4.435931 1.757923 -0.180640
C -3.354541 0.784264 0.338389
C -1.938239 1.195719 -0.124839
C -6.841050 2.543437 -0.352507
C -6.141051 1.178927 1.664229
C -6.332332 0.130943 -0.601781
C -0.842151 0.245412 0.409589
C 0.552161 0.650938 -0.071268
C 2.869105 -0.172014 0.203849
C 3.739158 -1.132015 0.804919
C 3.187821 -2.254520 1.668529
C 3.383194 0.853879 -0.618669
C 5.112016 -1.002275 0.540608
C 5.686547 0.010192 -0.286957
C 4.775543 0.947631 -0.867354
C 2.556344 -3.401747 0.834937
C 7.165161 0.057362 -0.508342
C 8.031867 -0.989660 0.208096
H -4.329261 1.856145 -1.279422
H -4.251170 2.764047 0.248820
H -3.568900 -0.239368 -0.024347
H -3.373942 0.747099 1.445315
H -1.911591 1.211505 -1.234437
H -1.729186 2.233598 0.210200
H -6.612457 3.467898 0.208893
H -6.687847 2.744653 -1.428576
H -7.903796 2.290951 -0.191905
H -5.558190 0.326373 2.053432
H -5.833672 2.089139 2.211164
H -7.205674 0.980858 1.873998
H -0.852431 0.238892 1.516350
H -1.048136 -0.790635 0.079167
H 0.814998 1.670626 0.280098
H 0.612290 0.627450 -1.179547
H -6.261663 -2.126039 -2.739204
H 4.003591 -2.663520 2.294175
H 2.418424 -1.853086 2.353878
H 2.713555 1.591724 -1.075763
H 5.781365 -1.732976 1.005600
H 1.715510 -3.021645 0.229236
H 2.170537 -4.198926 1.496863
H 3.299709 -3.850885 0.151439
H 4.517168 2.537443 -2.004612
H 9.082575 -0.796836 -0.057012
H 7.921728 -0.928817 1.306822
H 7.768821 -2.018421 -0.101506


