%chk=000023552.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023552

0 1
 O   -1.089000     -0.3145000      -1.358100    
 N    2.700000     -0.2218000      0.2994000    
 C  -6.1500002E-02   3.223800     -6.1000001E-02
 C    1.181600       4.017400      0.3390000    
 C   0.1816000       2.211700      -1.180800    
 C    2.298700       3.187400      0.9702000    
 C   0.8341000      0.9455000     -0.6985000    
 C    2.928300       2.175000      1.4900000E-02
 C    2.109100      0.9213000     -0.1400000    
 C   0.1621000     -0.2751000     -0.8042000    
 C   0.7527000      -1.464000     -0.3586000    
 C    2.041900      -1.389800      0.1954000    
 C   9.0800002E-02  -2.700400     -0.4545000    
 C    2.634300      -2.568400      0.6409000    
 C   0.7043000      -3.864800     -2.2000000E-03
 C    1.978700      -3.798300      0.5466000    
 C   -2.166400     -0.1639000     -0.5071000    
 C   -1.939700      1.7600000E-02  0.8470000    
 C   -3.449500     -0.1980000      -1.026800    
 C   -3.027900      0.1689000       1.706400    
 C   -4.537700     -4.6599999E-02 -0.1673000    
 C   -4.326700      0.1370000       1.199300    
 H  -0.4923000       2.735800      0.8214000    
 H  -0.8090000       3.945700     -0.4143000    
 H    1.571500       4.554800     -0.5345000    
 H   0.8778000       4.785600       1.061200    
 H  -0.7782000       2.010500      -1.667600    
 H   0.8047000       2.654100      -1.968800    
 H    3.083300       3.884700       1.290400    
 H    1.931300       2.690500       1.876600    
 H    3.115400       2.620300     -0.9695000    
 H    3.912700       1.897500      0.4138000    
 H  -0.9031000      -2.784500     -0.8867000    
 H    3.632300      -2.541800       1.074500    
 H   0.1913000      -4.818500     -7.9499997E-02
 H    2.466500      -4.701200      0.9021000    
 H  -0.9612000      5.3900000E-02   1.312400    
 H   -3.615600     -0.3408000      -2.090400    
 H   -2.864800      0.3122000       2.770600    
 H   -5.549100     -7.1500003E-02 -0.5621000    
 H   -5.174000      0.2551000       1.868400    


%chk=000023552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023552

0 1
O -1.162583 -0.301868 -1.275464
N 2.820813 -0.214767 0.213852
C 0.018694 3.310602 0.003041
C 1.300975 4.091749 0.374723
C 0.206870 2.261310 -1.133462
C 2.470991 3.236758 0.916567
C 0.846343 0.960272 -0.685549
C 3.033457 2.191361 -0.089315
C 2.210279 0.919224 -0.192301
C 0.149827 -0.253155 -0.726747
C 0.753998 -1.487992 -0.315825
C 2.118882 -1.411905 0.155991
C 0.088774 -2.753401 -0.360827
C 2.774775 -2.611338 0.577428
C 0.755749 -3.908249 0.057641
C 2.105010 -3.837187 0.530548
C -2.284809 -0.172845 -0.414697
C -2.177244 0.004074 0.983747
C -3.545707 -0.230871 -1.050921
C -3.360242 0.122098 1.748920
C -4.715079 -0.109460 -0.271365
C -4.630098 0.067794 1.131130
H -0.395376 2.807486 0.899326
H -0.747843 4.038192 -0.328768
H 1.652856 4.641022 -0.524298
H 1.042629 4.862371 1.128583
H -0.774298 2.033714 -1.583373
H 0.823644 2.719330 -1.934053
H 3.297745 3.919254 1.195296
H 2.165812 2.718511 1.847304
H 3.123304 2.671580 -1.086233
H 4.045853 1.882379 0.221212
H -0.938707 -2.801180 -0.734207
H 3.807327 -2.525968 0.929614
H 0.246570 -4.877512 0.021454
H 2.612766 -4.752714 0.853554
H -1.195569 0.040419 1.466128
H -3.588948 -0.368760 -2.135514
H -3.283104 0.255169 2.833808
H -5.694296 -0.153569 -0.760858
H -5.540741 0.160475 1.731909


