%chk=000039083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039083

0 1
 O   0.5075000      -1.869700     -0.1831000    
 O   -1.461600      -2.276300      -1.280100    
 O    2.033400     -0.3574000      -1.687200    
 N    3.316000      0.3250000      0.1273000    
 C  -0.9633000     -5.0200000E-02 -0.4221000    
 C   2.4300000E-02  0.2497000      0.6950000    
 C    1.127800     -0.7534000      0.4540000    
 C  -0.7178000      -1.514400     -0.6813000    
 C    2.191800     -0.2482000     -0.4684000    
 C   -2.392100      0.2934000     -8.6199999E-02
 C    4.426000      0.8566000     -0.6532000    
 C    3.462300      0.4339000       1.576500    
 C   -2.911200       1.545500     -0.4253000    
 C   -3.203900     -0.6390000      0.5648000    
 C    4.214100       2.325400     -0.9790000    
 C    4.147200     -0.7936000       2.152900    
 C   -4.233400       1.863400     -0.1149000    
 C   -4.526200     -0.3210000      0.8751000    
 C   -5.040900      0.9302000      0.5352000    
 H  -0.6643000      0.4725000      -1.340500    
 H   0.3620000       1.291400      0.6881000    
 H  -0.4312000      5.9599999E-02   1.675500    
 H    1.524600      -1.134100       1.394100    
 H    4.492600      0.2944000      -1.591400    
 H    5.366400      0.7065000     -0.1126000    
 H    2.494200      0.5927000       2.058700    
 H    4.055600       1.327000       1.805400    
 H   -2.291600       2.281900     -0.9302000    
 H   -2.827700      -1.611900      0.8675000    
 H    3.286200       2.474100      -1.541300    
 H    4.151100       2.929100     -6.8099998E-02
 H    5.044300       2.704300      -1.582800    
 H    3.607800      -1.716100       1.919300    
 H    5.161400     -0.8999000       1.753900    
 H    4.222100     -0.7080000       3.241500    
 H   -4.634000       2.837800     -0.3787000    
 H   -5.153500      -1.045000       1.386900    
 H   -6.069900       1.178300      0.7782000    


%chk=000039083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039083

0 1
O 0.838855 -0.773942 1.226943
O -0.674827 -2.319265 0.398116
O 1.747637 1.805404 -0.910370
N 3.358007 0.583391 0.239148
C -1.012020 0.147552 -0.027213
C -0.373002 1.273991 0.833660
C 1.025843 0.719021 1.166841
C -0.343532 -1.132604 0.512805
C 2.076352 1.071258 0.081908
C -2.531915 0.126608 -0.027847
C 4.365521 0.960973 -0.787937
C 3.821719 -0.293817 1.343066
C -3.241600 0.718368 -1.102156
C -3.263822 -0.423989 1.055061
C 5.028682 2.319872 -0.479699
C 3.956776 -1.775158 0.929848
C -4.653549 0.768219 -1.094379
C -4.674757 -0.377088 1.064358
C -5.375139 0.221562 -0.008804
H -0.646768 0.266736 -1.067231
H -0.302489 2.222469 0.282011
H -0.958426 1.419696 1.758036
H 1.376828 1.015825 2.169677
H 3.853633 1.011266 -1.763797
H 5.122294 0.157558 -0.831675
H 3.121541 -0.220753 2.189954
H 4.798442 0.097404 1.690627
H -2.686101 1.141767 -1.948255
H -2.733504 -0.909082 1.883232
H 4.272154 3.122434 -0.488753
H 5.526960 2.312336 0.507088
H 5.790316 2.554432 -1.245587
H 2.969358 -2.185175 0.663820
H 4.640106 -1.898275 0.070288
H 4.363253 -2.363563 1.772812
H -5.187848 1.227392 -1.933609
H -5.228559 -0.813366 1.903265
H -6.470318 0.255041 -0.001749


