%chk=000114099.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114099

0 1
 O    2.308600      -2.885100     -9.7300000E-02
 N   -1.638100     -0.1835000      0.2978000    
 N  -6.2100001E-02   2.102700      0.1519000    
 N   -5.842300      0.2620000     -0.4347000    
 C   -2.471000      -1.338500      0.3744000    
 C  -0.2291000     -0.2643000      0.1604000    
 C   -3.938600     -0.9455000      0.5295000    
 C   0.5348000      0.8973000      8.9299999E-02
 C    1.932500      0.7650000     -4.8400000E-02
 C   0.3568000      -1.531200      9.8600000E-02
 C   -4.444300     -0.1000000     -0.6409000    
 C    1.734000      -1.654000     -3.7000000E-02
 C    2.522000     -0.5090000     -0.1106000    
 C    2.701900       1.934100     -0.1200000    
 C    2.089900       3.177500     -5.5700000E-02
 C   0.7166000       3.206500      7.9200000E-02
 C    3.728300      -2.934200     -0.2364000    
 H   -2.371200      -1.951000     -0.5301000    
 H   -2.197400      -1.955600       1.238900    
 H   -4.066800     -0.3870000       1.466200    
 H   -4.541300      -1.858300      0.6168000    
 H   -2.027500      0.7422000      0.4381000    
 H  -0.2250000      -2.446500      0.1525000    
 H   -4.348400     -0.6595000      -1.577900    
 H   -3.865900      0.8228000     -0.7445000    
 H    3.602200     -0.5450000     -0.2168000    
 H    3.783100       1.883300     -0.2264000    
 H    2.669500       4.091500     -0.1095000    
 H   0.1831000       4.149700      0.1348000    
 H   -6.409700     -0.5823000     -0.3715000    
 H   -6.182100      0.7740000      -1.247800    
 H    4.013300      -3.991000     -0.2676000    
 H    4.233000      -2.492800      0.6296000    
 H    4.055700      -2.487200      -1.181200    


%chk=000114099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114099

0 1
O 2.357178 -2.942236 -0.148480
N -1.586260 -0.206213 0.383711
N -0.129066 2.066856 0.244996
N -5.860705 0.260096 -0.635326
C -2.525473 -1.317743 0.526333
C -0.228310 -0.350758 0.215473
C -3.980794 -0.813657 0.571529
C 0.558126 0.875838 0.134200
C 1.987466 0.796639 -0.050235
C 0.434246 -1.587732 0.118578
C -4.455729 -0.174446 -0.752404
C 1.849136 -1.635113 -0.067101
C 2.634955 -0.475258 -0.154064
C 2.688980 2.045772 -0.118551
C 1.987584 3.251078 -0.006069
C 0.571315 3.218956 0.176495
C 3.800707 -3.094200 -0.335088
H -2.403340 -2.022833 -0.325250
H -2.302431 -1.895960 1.450293
H -4.111026 -0.077779 1.388204
H -4.636220 -1.674585 0.813112
H -1.902208 0.765704 0.475391
H -0.103158 -2.536757 0.184532
H -4.267875 -0.901463 -1.581649
H -3.841891 0.718374 -0.975667
H 3.718718 -0.514736 -0.294256
H 3.776556 2.042927 -0.258146
H 2.505607 4.214217 -0.054651
H -0.002232 4.148230 0.269327
H -6.523242 -0.504373 -0.470544
H -6.178246 0.890522 -1.376783
H 3.975033 -4.179824 -0.368084
H 4.363420 -2.649897 0.508955
H 4.133679 -2.632548 -1.285085


