%chk=000145944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145944

0 1
 O    2.305800     -0.6455000      0.8813000    
 O    5.713800       1.081500     -0.2759000    
 O  -0.9150000      0.1472000      -1.341600    
 O   -3.834300       1.908700     -2.8999999E-02
 N    1.662400      0.9025000     -0.7234000    
 N    4.698600     -0.9956000     -0.4446000    
 N   -1.535800      0.6632000      0.8322000    
 N    8.058700     -0.1731000      0.4542000    
 N   -2.740500      1.2200000E-02  0.7263000    
 N   -7.506700      -1.482100      7.9700001E-02
 C    3.535000     -0.5526000      -1.208300    
 C   0.5767000       1.488200      1.8400000E-02
 C    2.449800     -0.1308000     -0.2257000    
 C    3.030200      -1.679200      -2.101100    
 C    6.792000     -0.8495000      0.7214000    
 C    5.692000     -0.1256000     -4.4700000E-02
 C   0.3782000       2.947200     -0.3614000    
 C  -0.6832000      0.6789000     -0.2576000    
 C    6.492000     -0.8358000       2.215200    
 C   -3.841200      0.7208000      0.2841000    
 C   -5.113500     -4.3800000E-02  0.2134000    
 C   -6.331600      0.6149000      0.3381000    
 C   -5.090500      -1.420800      2.1800000E-02
 C   -7.489200     -0.1430000      0.2647000    
 C   -6.303700      -2.087700     -3.7400000E-02
 H    3.832700      0.3045000      -1.823400    
 H   0.8192000       1.424200       1.086000    
 H    1.807600       1.213200      -1.680000    
 H    4.727000      -1.964100     -0.1386000    
 H    2.164900      -1.354500      -2.688700    
 H    3.812400      -2.008000      -2.793600    
 H    2.720700      -2.548400      -1.509500    
 H    6.871300      -1.885800      0.3736000    
 H   0.1263000       3.051200      -1.423100    
 H    1.289100       3.526500     -0.1767000    
 H  -0.4372000       3.395400      0.2162000    
 H    6.404700      0.1875000       2.598300    
 H    7.277900      -1.347300       2.781600    
 H    5.543300      -1.342400       2.423900    
 H   -1.338300       1.118000       1.717300    
 H    8.808800     -0.6346000      0.9674000    
 H    8.293100     -0.2640000     -0.5338000    
 H   -2.752400     -0.9519000       1.039800    
 H   -6.393300       1.686800      0.4926000    
 H   -4.175100      -1.986700     -0.1080000    
 H   -8.464900      0.3228000      0.3573000    
 H   -6.340800      -3.161100     -0.1917000    


%chk=000145944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145944

0 1
O 0.896869 -0.698128 1.449834
O 4.326525 0.113446 -1.446334
O -0.947467 2.429763 -1.274835
O -2.811906 -1.194536 1.325932
N 1.822642 0.595683 -0.248882
N 4.126517 -1.296724 0.378321
N -1.159719 0.751282 0.294464
N 6.744889 1.039650 -0.612620
N -2.492264 0.599321 -0.097062
N -7.425158 -0.727078 -0.856508
C 2.723332 -1.677086 0.075945
C 1.055094 1.815619 0.099330
C 1.734269 -0.550889 0.495252
C 2.371639 -3.004580 0.759134
C 6.358108 -0.289455 -0.121114
C 4.857406 -0.465719 -0.433353
C 1.726210 3.054129 -0.510275
C -0.418009 1.704005 -0.368698
C 6.719449 -0.437780 1.375993
C -3.279859 -0.387620 0.458768
C -4.702104 -0.448640 -0.029650
C -5.481155 -1.559255 0.378714
C -5.319197 0.526890 -0.855236
C -6.820298 -1.656463 -0.054921
C -6.666804 0.344020 -1.237721
H 2.658417 -1.775535 -1.025250
H 1.042109 1.886574 1.205654
H 2.562349 0.641258 -0.975546
H 4.544612 -1.666947 1.233849
H 1.343828 -3.302670 0.497398
H 3.065648 -3.800538 0.436820
H 2.400939 -2.904150 1.858144
H 6.859781 -1.127092 -0.674205
H 1.706634 3.009136 -1.612220
H 2.771885 3.130209 -0.165095
H 1.183579 3.965193 -0.211277
H 6.147231 0.281893 1.985893
H 7.791898 -0.214043 1.515041
H 6.560086 -1.466834 1.754301
H -0.759226 0.082400 0.985264
H 7.753603 1.190385 -0.683750
H 6.220392 1.323343 -1.447246
H -2.755099 1.260330 -0.836910
H -5.028154 -2.316182 1.025629
H -4.797288 1.428354 -1.194833
H -7.445285 -2.505283 0.243408
H -7.169948 1.081844 -1.872548


