%chk=000108074.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108074

0 1
 O   -1.601600     -0.1793000       1.002500    
 O   -2.258900      -2.869000      0.5821000    
 O    1.153500       2.824700      0.3636000    
 O    4.356200     -0.4220000     -0.2281000    
 N   0.4461000      0.6071000      0.1842000    
 N   -3.878800       1.610600     -0.1046000    
 N    2.740200       1.195400      6.7599997E-02
 C   -3.053900      0.5732000     -0.7285000    
 C   -1.654700       1.087000      -1.009200    
 C   -2.784700     -0.5527000      0.2698000    
 C  -0.9500000      0.9047000      0.3246000    
 C   -2.507500      -1.888900     -0.4127000    
 C   0.8271000     -0.7179000      1.4100000E-02
 C    1.418400       1.629700      0.2165000    
 C    2.092900      -1.130200     -0.1280000    
 C    3.174800     -0.1102000     -0.1040000    
 C    2.480900      -2.562400     -0.3099000    
 H   -3.559800      0.2256000      -1.634900    
 H   -1.192700      0.4702000      -1.790800    
 H   -1.615400       2.122200      -1.364900    
 H   -1.075700       1.800000      0.9450000    
 H   -3.596800     -0.6812000      0.9953000    
 H   -1.656300      -1.860100      -1.095500    
 H   -3.379200      -2.210500     -0.9928000    
 H   -4.804100       1.234100      9.7199999E-02
 H   -4.016800       2.376600     -0.7625000    
 H   5.1899999E-02  -1.465700      8.2999999E-03
 H    3.457700       1.914800      8.7899998E-02
 H   -3.050900      -2.929300       1.143100    
 H    3.006000      -2.698300      -1.261000    
 H    1.609700      -3.225900     -0.3138000    
 H    3.141200      -2.885600      0.5015000    


%chk=000108074-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108074

0 1
O -1.712029 -0.186643 1.009474
O -1.885470 -2.874193 0.158694
O 1.012095 2.789282 0.077635
O 4.422516 -0.395198 -0.314133
N 0.439742 0.510176 0.186283
N -3.952459 1.660920 -0.034226
N 2.688009 1.151853 -0.088782
C -3.155633 0.650350 -0.742488
C -1.720521 1.184158 -0.980515
C -2.885355 -0.565880 0.183333
C -0.992959 0.908209 0.361732
C -2.616682 -1.864348 -0.613233
C 0.833045 -0.830816 0.135061
C 1.360958 1.572282 0.063137
C 2.143685 -1.219036 -0.035150
C 3.182691 -0.187519 -0.158995
C 2.569300 -2.666116 -0.080701
H -3.605399 0.304433 -1.704479
H -1.227645 0.631165 -1.799546
H -1.699614 2.256917 -1.229381
H -0.999694 1.790580 1.020373
H -3.704259 -0.726000 0.910928
H -1.975050 -1.673437 -1.490615
H -3.587492 -2.267688 -0.973940
H -4.875309 1.354881 0.284575
H -3.968672 2.584902 -0.472725
H 0.024398 -1.557532 0.270200
H 3.383456 1.899946 -0.174019
H -2.257372 -2.929000 1.075326
H 3.100183 -2.888956 -1.024138
H 1.700063 -3.339540 0.007162
H 3.280273 -2.891451 0.735252


