%chk=000036508.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036508

0 1
 O   -1.325500     -0.7630000      0.5642000    
 O  -0.3368000       1.281800      0.8307000    
 N   -4.365200      0.5392000     -0.4157000    
 N   0.8794000     -0.6061000      0.1701000    
 C   -2.576700     -0.2011000      0.9347000    
 C   -3.674200      -1.260200      0.8674000    
 C   -2.976000      0.8644000     -8.4700003E-02
 C   -4.439300     -0.9206000     -0.4018000    
 C   -4.783300       1.107400      -1.688300    
 C  -0.2506000      9.3400002E-02  0.5469000    
 C    2.197400     -0.1168000      2.3100000E-02
 C    3.220100     -0.9685000     -0.3655000    
 C    2.438300       1.225300      0.2769000    
 C    4.514400     -0.4668000     -0.5035000    
 C    2.974900      -2.416300     -0.6423000    
 C    3.732500       1.727000      0.1388000    
 C    4.770500      0.8809000     -0.2513000    
 H   -2.511200      0.1970000       1.954800    
 H   -4.340200      -1.155400       1.733100    
 H   -3.287200      -2.283600      0.8478000    
 H   -2.918100       1.869300      0.3468000    
 H   -2.337900      0.8333000     -0.9773000    
 H   -3.942200      -1.364200      -1.273900    
 H   -5.471000      -1.283100     -0.3589000    
 H   -4.177100      0.7475000      -2.527400    
 H   -4.715200       2.200400      -1.659100    
 H   -5.830500      0.8581000      -1.891100    
 H   0.7346000      -1.592800     -2.2800000E-02
 H    1.693700       1.945200      0.5819000    
 H    5.335000      -1.111600     -0.8066000    
 H    3.894100      -2.934600     -0.9371000    
 H    2.593600      -2.920200      0.2521000    
 H    2.260200      -2.535700      -1.463400    
 H    3.933600       2.776400      0.3348000    
 H    5.778200       1.271700     -0.3587000    


%chk=000036508-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036508

0 1
O -1.296216 -0.617469 0.464335
O -0.228098 1.412692 1.012008
N -4.500559 0.427975 -0.515047
N 0.933480 -0.472957 0.146582
C -2.598131 -0.012891 0.887349
C -3.625344 -1.166971 0.972658
C -3.143499 0.946098 -0.208656
C -4.431380 -1.042784 -0.338087
C -5.070790 0.899217 -1.782966
C -0.176420 0.233524 0.580504
C 2.285502 -0.031438 0.078726
C 3.255602 -0.960421 -0.414291
C 2.673402 1.273964 0.477661
C 4.603306 -0.540888 -0.491174
C 2.855953 -2.361827 -0.846848
C 4.027332 1.658961 0.386735
C 5.000390 0.757049 -0.096833
H -2.423021 0.500392 1.846255
H -4.291204 -0.999942 1.836286
H -3.121942 -2.139846 1.093832
H -3.183078 1.996831 0.124706
H -2.459114 0.891250 -1.092507
H -3.890995 -1.550747 -1.178090
H -5.445026 -1.475652 -0.269233
H -4.472811 0.590391 -2.678759
H -5.130421 2.002438 -1.779616
H -6.096224 0.505657 -1.902102
H 0.732866 -1.427458 -0.156883
H 1.916030 1.965809 0.851720
H 5.352499 -1.247542 -0.868282
H 3.736567 -2.925268 -1.196227
H 2.407671 -2.945025 -0.017040
H 2.127140 -2.350375 -1.682536
H 4.317292 2.668854 0.697254
H 6.051543 1.056102 -0.166734


