%chk=000112674.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112674

0 1
 O    2.801100      0.7407000     -0.6554000    
 O    3.525700     -0.2800000       1.258400    
 N  -0.6256000       2.071300     -0.3620000    
 N    4.861400     -0.1494000     -0.6596000    
 N   -4.131800      -2.848300       2.328500    
 N   -7.075900      -4.362600     -0.6673000    
 C  -0.8975000       3.429300      0.1614000    
 C   -2.158700       3.420700       1.048600    
 C   -3.369900       2.804400      0.3465000    
 C   -2.995300       1.416400     -0.1461000    
 C   -1.646500       1.113700     -0.4680000    
 C   0.2615000       3.908100       1.064400    
 C   -1.059400       4.408000      -1.016000    
 C   0.6657000       1.788100     -0.9915000    
 C   -4.564200       2.852500       1.310900    
 C   -3.998300      0.4426000     -0.3358000    
 C   -1.373400     -0.2042000     -0.9046000    
 C    1.564300       1.040800     -2.0800000E-02
 C   -3.690400     -0.8382000     -0.7831000    
 C   -2.374500      -1.165400      -1.058100    
 C   -4.742400      -1.827000     -0.9583000    
 C   -5.178800      -2.719200     -3.4800000E-02
 C    3.726700      6.1500002E-02  9.9299997E-02
 C   -4.600200      -2.788300       1.268300    
 C   -6.225100      -3.625400     -0.3849000    
 C    6.053800     -0.8060000     -0.2786000    
 C    7.090200     -0.9174000      -1.192000    
 C    6.162400      -1.327200       1.000900    
 C    8.266200      -1.566700     -0.8158000    
 C    7.338300      -1.976700       1.376900    
 C    8.390500      -2.096200      0.4688000    
 H   -1.953100       2.852800       1.968500    
 H   -2.396500       4.444800       1.366600    
 H   -3.633400       3.406200     -0.5320000    
 H   0.4354000       3.211900       1.892400    
 H    1.201700       4.021200      0.5156000    
 H   3.3399999E-02   4.887600       1.501600    
 H  -0.1188000       4.546400      -1.560200    
 H   -1.795900       4.052300      -1.744300    
 H   -1.379300       5.395800     -0.6660000    
 H    1.174200       2.713000      -1.288800    
 H   0.5621000       1.252500      -1.943800    
 H   -4.700200       3.863700       1.710800    
 H   -5.499300       2.586500      0.8080000    
 H   -4.426000       2.169400       2.156500    
 H   -5.039200      0.6840000     -0.1345000    
 H  -0.3703000     -0.5323000      -1.160400    
 H    1.769900       1.652700      0.8631000    
 H    1.106400      0.1094000      0.3272000    
 H   -2.104400      -2.159600      -1.405800    
 H   -5.203000      -1.808800      -1.945500    
 H    4.838900      0.2116000      -1.610200    
 H    7.003900     -0.5089000      -2.195000    
 H    5.393300      -1.274200       1.757600    
 H    9.085200      -1.660000      -1.523100    
 H    7.436200      -2.389700       2.376800    
 H    9.306000      -2.601800      0.7617000    


%chk=000112674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112674

0 1
O 2.448565 -0.895448 0.405441
O 3.677682 1.081045 0.799559
N -0.565017 1.404209 0.043898
N 4.683579 -0.948734 0.086526
N -4.347869 -4.490515 -1.598846
N -8.561794 -3.036559 -1.409533
C -0.460928 2.863547 0.427700
C -1.784501 3.291431 1.110868
C -3.044123 2.978698 0.278879
C -3.049419 1.484887 -0.050738
C -1.794214 0.774538 -0.167344
C 0.685293 3.079627 1.451180
C -0.189410 3.710020 -0.848786
C 0.688466 0.707045 -0.310028
C -4.311664 3.476493 1.009828
C -4.241509 0.785651 -0.270433
C -1.846465 -0.619432 -0.517574
C 1.225064 -0.178884 0.840092
C -4.300573 -0.602051 -0.620496
C -3.051062 -1.286133 -0.741993
C -5.607456 -1.184918 -0.820468
C -5.995969 -2.483068 -1.163169
C 3.639140 -0.130096 0.459509
C -5.091588 -3.572179 -1.399059
C -7.394845 -2.789105 -1.298553
C 6.064989 -0.614493 -0.020240
C 6.948619 -1.640454 -0.448883
C 6.571295 0.676177 0.283238
C 8.327903 -1.379181 -0.573770
C 7.955565 0.920260 0.151717
C 8.841332 -0.095696 -0.274200
H -1.863973 2.779773 2.090875
H -1.727073 4.377417 1.311819
H -2.974199 3.542690 -0.675994
H 0.490316 2.517643 2.382494
H 1.678906 2.788742 1.069648
H 0.730753 4.152891 1.709455
H 0.781637 3.444910 -1.303797
H -0.973448 3.558178 -1.610291
H -0.154414 4.784253 -0.591629
H 1.458866 1.454472 -0.556473
H 0.543365 0.087653 -1.213223
H -4.196170 4.542542 1.278741
H -5.217150 3.397327 0.382771
H -4.486314 2.904396 1.939736
H -5.189243 1.328542 -0.176573
H -0.924885 -1.198194 -0.611381
H 1.458265 0.433706 1.726244
H 0.520729 -0.980902 1.108021
H -3.019578 -2.345938 -1.005766
H -6.447475 -0.489592 -0.679665
H 4.416507 -1.910686 -0.135957
H 6.557319 -2.638763 -0.683208
H 5.889950 1.462158 0.614921
H 8.999722 -2.178520 -0.904778
H 8.342695 1.917841 0.387387
H 9.912909 0.107179 -0.370699


