%chk=000020901.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020901

0 1
 O   -1.242900     -0.1717000     -0.7323000    
 O   -1.440500      0.4399000       1.511500    
 N    2.454200     -0.1949000     -0.2816000    
 C    1.176100     -0.1060000      -1.015300    
 C   2.0999999E-03 -0.3839000     -6.5600000E-02
 C    1.121400      -1.012400      -2.258800    
 C    1.524100      -2.452600      -1.956900    
 C    2.855500      -1.581100      3.9999999E-04
 C    2.859500      -2.496800      -1.224800    
 C  -8.0200002E-02  0.5618000       1.100200    
 C   -2.194000      0.1646000      0.3061000    
 C    3.520700      0.5470000     -0.9551000    
 C   -3.130700      -1.018000      0.5468000    
 C   -2.978100       1.410000     -0.1048000    
 C    4.773500      0.6083000     -0.1224000    
 C   -3.457500      -1.878700     -0.5035000    
 C   -3.441000       2.299400      0.8677000    
 C   -3.664000      -1.242400       1.817900    
 C   -3.235000       1.663200      -1.453900    
 C    4.953000       1.659700      0.7657000    
 C    5.731700     -0.3869000     -0.2549000    
 C   -4.313100      -2.958200     -0.2839000    
 C   -4.157300       3.436100      0.4926000    
 C   -4.519600      -2.322100       2.037700    
 C   -3.951200       2.799900      -1.829000    
 C    6.113900       1.716900       1.536900    
 C    6.892500     -0.3298000      0.5163000    
 C   -4.844100      -3.179900      0.9867000    
 C   -4.412300       3.686300     -0.8556000    
 C    7.083600      0.7221000       1.412200    
 H    1.035600      0.9231000      -1.376800    
 H  -5.5000000E-03  -1.420900      0.2903000    
 H    1.800000     -0.6137000      -3.023900    
 H   0.1225000     -0.9999000      -2.709900    
 H    1.592500      -3.023300      -2.889900    
 H   0.7522000      -2.936900      -1.347700    
 H    2.126300      -1.992300      0.7118000    
 H    3.788400      -1.670800      0.5599000    
 H    3.065800      -3.526500     -0.9105000    
 H    3.662600      -2.213200      -1.914000    
 H   0.5877000      0.3008000       1.925200    
 H   9.3000002E-02   1.604700      0.8117000    
 H    3.192500       1.577900      -1.145700    
 H    3.758400      0.1330000      -1.943300    
 H   -3.063600      -1.723400      -1.504200    
 H   -3.263300       2.123000       1.924900    
 H   -3.434100     -0.5842000       2.651200    
 H   -2.894200      0.9844000      -2.230800    
 H    4.203400       2.438600      0.8728000    
 H    5.613000      -1.200600     -0.9636000    
 H   -4.567400      -3.625100      -1.102500    
 H   -4.518400       4.125300       1.250400    
 H   -4.934900      -2.493700       3.026500    
 H   -4.151800       2.993900      -2.878600    
 H    6.262600       2.535800       2.234700    
 H    7.650100      -1.101400      0.4153000    
 H   -5.511200      -4.019800       1.157500    
 H   -4.970800       4.570800      -1.147500    
 H    7.988000      0.7672000       2.011700    


%chk=000020901-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020901

0 1
O -1.359722 -1.328550 -0.297180
O -1.472766 -0.270378 1.787704
N 2.357465 -0.550195 -0.346255
C 0.983250 -0.721166 -0.911896
C 0.044867 -1.233802 0.206460
C 0.942071 -1.613314 -2.184664
C 1.687724 -2.955523 -1.985655
C 3.086543 -1.843153 -0.179129
C 3.124724 -2.708054 -1.466593
C -0.039448 -0.266554 1.416294
C -2.193966 -0.380137 0.504335
C 3.163337 0.500372 -1.016956
C -3.544686 -1.039888 0.768595
C -2.265595 0.986181 -0.191776
C 4.298794 1.033922 -0.142676
C -4.742932 -0.557126 0.194236
C -2.440015 2.159412 0.582809
C -3.582946 -2.193649 1.591152
C -2.205127 1.087004 -1.602567
C 4.127275 1.189962 1.255840
C 5.527048 1.429113 -0.727808
C -5.967744 -1.220735 0.437983
C -2.539045 3.420343 -0.046494
C -4.804193 -2.852729 1.838449
C -2.308068 2.348006 -2.232680
C 5.157723 1.738838 2.050125
C 6.559977 1.983145 0.063356
C -6.002620 -2.368456 1.260058
C -2.474169 3.518683 -1.456352
C 6.377984 2.141036 1.456418
H 0.612341 0.287348 -1.180089
H 0.317116 -2.255533 0.527293
H 1.415443 -1.058682 -3.020179
H -0.112893 -1.791371 -2.463690
H 1.709517 -3.518393 -2.938025
H 1.138483 -3.589709 -1.260157
H 2.595859 -2.423478 0.627272
H 4.107045 -1.611221 0.174012
H 3.635985 -3.666378 -1.250782
H 3.720731 -2.195294 -2.248481
H 0.517670 -0.605431 2.301125
H 0.288520 0.751423 1.130717
H 2.473214 1.335795 -1.251059
H 3.593756 0.170938 -1.993837
H -4.724618 0.333894 -0.441630
H -2.485476 2.072610 1.673628
H -2.651477 -2.556412 2.035809
H -2.072265 0.174409 -2.193569
H 3.182537 0.861609 1.703222
H 5.676638 1.302896 -1.808024
H -6.891290 -0.839847 -0.012269
H -2.666784 4.323777 0.560507
H -4.825581 -3.741637 2.479020
H -2.259616 2.416410 -3.325459
H 5.011337 1.854667 3.130389
H 7.504488 2.284421 -0.404156
H -6.952481 -2.881101 1.450483
H -2.552193 4.496921 -1.944255
H 7.177954 2.567360 2.072356


