%chk=000096312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096312

0 1
 O    2.470200     -0.4785000     -0.9750000    
 O    1.604200       2.124400       1.347800    
 O    3.791900       2.175700     -0.2635000    
 O    4.325400      -2.539600     -0.5594000    
 O   -4.145200      -1.629500      0.3412000    
 N   0.2540000     -0.3438000     -0.1381000    
 N   -1.119400      -2.052500      0.2772000    
 N   -1.374100       1.437100     -0.4206000    
 N   -3.652900      0.6099000     -0.1394000    
 N   -3.219700       2.861400     -0.6199000    
 C    2.150000      0.8893000      0.9316000    
 C    1.502300      0.3856000     -0.3491000    
 C    3.603600      0.9933000      0.5138000    
 C    3.769200     -0.2226000     -0.3924000    
 C    4.211000      -1.469000      0.3616000    
 C   -1.013000      0.1678000     -0.1797000    
 C   0.1363000      -1.681200      0.1392000    
 C   -1.848600     -0.9066000      8.0499999E-02
 C   -3.216000     -0.6507000      9.6199997E-02
 C   -2.718600       1.561400     -0.3797000    
 C   -5.510400      -1.232000      0.3280000    
 H    2.038500      0.1642000       1.746100    
 H    1.279200       1.199100      -1.050500    
 H    4.296900       1.033800       1.358700    
 H    4.453500     -3.0099999E-02  -1.226500    
 H    3.487400      -1.765300       1.127400    
 H    5.184600      -1.317600      0.8369000    
 H    1.754600       2.773700      0.6397000    
 H    4.720100       2.187200     -0.5535000    
 H   0.9926000      -2.334900      0.2343000    
 H    3.455400      -2.661700     -0.9766000    
 H   -2.573700       3.616100     -0.8052000    
 H   -4.217700       3.019700     -0.6024000    
 H   -5.709300     -0.4888000       1.107300    
 H   -6.121600      -2.114700      0.5379000    
 H   -5.796800     -0.8479000     -0.6568000    


%chk=000096312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096312

0 1
O 2.267608 -0.347612 -0.883998
O 1.986870 1.857667 2.076188
O 3.785997 2.283861 0.187563
O 4.075459 -2.412392 -1.375355
O -4.263021 -1.520251 0.567191
N 0.215731 -0.245526 0.336768
N -1.229210 -1.895140 1.030512
N -1.402526 1.346743 -0.637867
N -3.720778 0.545774 -0.441753
N -3.216329 2.596219 -1.451609
C 2.368762 0.717888 1.278363
C 1.441033 0.465428 0.051379
C 3.760802 0.871824 0.608329
C 3.715399 -0.108352 -0.581972
C 4.340837 -1.482159 -0.283964
C -1.068535 0.189562 -0.014990
C 0.049434 -1.506870 0.957248
C -1.950646 -0.840344 0.430512
C -3.329222 -0.592896 0.178149
C -2.756383 1.461040 -0.823175
C -5.679518 -1.210597 0.273796
H 2.356264 -0.153523 1.954616
H 1.159152 1.422991 -0.425186
H 4.592759 0.657635 1.306906
H 4.172347 0.325042 -1.491813
H 3.950906 -1.874899 0.682208
H 5.440454 -1.404653 -0.218421
H 2.328726 2.665182 1.603259
H 4.666461 2.525486 -0.188653
H 0.894097 -2.096148 1.306002
H 3.102856 -2.363617 -1.573877
H -2.549634 3.301508 -1.751441
H -4.214247 2.708485 -1.602077
H -5.984694 -0.279092 0.779544
H -6.229688 -2.077047 0.667383
H -5.833625 -1.098520 -0.812666


