%chk=000139414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139414

0 1
 O  -1.4600000E-02   2.356600      3.8899999E-02
 N   -1.346200     -0.8846000     -0.5352000    
 N    1.443200     -0.7214000      0.8452000    
 C   -1.252300      0.3723000      3.1999999E-03
 C    1.321500      0.4454000      0.2198000    
 C   -3.390800     -0.3221000      0.1246000    
 C    3.438800     -5.1500000E-02  0.1382000    
 C   -2.509800      0.7469000      0.4222000    
 C    2.477300      0.9189000     -0.2374000    
 C   -2.644700      -1.317500     -0.4669000    
 C    2.771900      -1.054500      0.8062000    
 C  -2.7000001E-02   1.104900      8.1900001E-02
 C   -4.842300     -0.3651000      0.3963000    
 C    4.890200     -3.9999999E-04 -0.1338000    
 C   -2.874800       2.027600       1.063400    
 C    2.742000       2.171800     -0.9757000    
 C   -3.032200      -2.646000     -0.9789000    
 C    3.261500      -2.305200       1.417000    
 C   -5.680900      0.1805000     -0.7637000    
 C    5.269100     -0.6564000      -1.465300    
 H  -0.5802000      -1.410200     -0.9340000    
 H   0.7139000      -1.268100       1.284600    
 H   -5.152500      -1.399800      0.5904000    
 H   -5.087500      0.1871000       1.309900    
 H    5.245200       1.036900     -0.1307000    
 H    5.439600     -0.5028000      0.6720000    
 H   -2.840500       2.841400      0.3313000    
 H   -3.878500       2.015800       1.495400    
 H   -2.179400       2.267300       1.875000    
 H    1.972400       2.354100      -1.733200    
 H    2.760400       3.023700     -0.2884000    
 H    3.700300       2.145000      -1.503000    
 H   -2.211400      -3.132100      -1.516500    
 H   -3.328200      -3.301300     -0.1534000    
 H   -3.877600      -2.562100      -1.669400    
 H    3.869900      -2.870900      0.7042000    
 H    3.878200      -2.085200       2.294300    
 H    2.438600      -2.952400       1.737700    
 H   -5.436800       1.228900     -0.9656000    
 H   -6.746300      0.1178000     -0.5215000    
 H   -5.504500     -0.3901000      -1.681700    
 H    4.978800      -1.712200      -1.481600    
 H    6.350800     -0.5969000      -1.620900    
 H    4.774500     -0.1579000      -2.305600    


%chk=000139414-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000139414

0 1
O -0.091145 2.537479 0.002342
N -1.300347 -0.905731 -0.377117
N 1.401539 -0.730782 0.734752
C -1.264774 0.445791 0.039444
C 1.263952 0.557135 0.162957
C -3.427737 -0.347060 0.155955
C 3.482743 -0.072213 0.140034
C -2.591379 0.807280 0.377022
C 2.561050 0.977664 -0.216755
C -2.605762 -1.387147 -0.334143
C 2.741361 -1.109368 0.748209
C -0.032660 1.253676 0.064057
C -4.920893 -0.417006 0.381726
C 4.970339 -0.075093 -0.128939
C -3.042715 2.147860 0.895341
C 2.917323 2.279425 -0.889065
C -2.946683 -2.779118 -0.788461
C 3.188144 -2.416784 1.340247
C -5.744616 0.218316 -0.771362
C 5.343045 -0.699071 -1.501804
H -0.511625 -1.383919 -0.812745
H 0.653174 -1.205598 1.240170
H -5.238192 -1.469518 0.514296
H -5.177486 0.100977 1.327111
H 5.348531 0.964478 -0.094414
H 5.503939 -0.624271 0.671822
H -3.429317 2.782366 0.074497
H -3.853908 2.038189 1.639309
H -2.203149 2.701967 1.344256
H 2.010357 2.867129 -1.097385
H 3.565931 2.896330 -0.236922
H 3.471253 2.111850 -1.832579
H -2.789312 -2.911057 -1.877175
H -2.341961 -3.548422 -0.270233
H -4.007374 -2.998106 -0.583729
H 4.283456 -2.423269 1.467223
H 2.737766 -2.595842 2.335625
H 2.926956 -3.280724 0.697549
H -5.475704 1.281133 -0.906660
H -6.829244 0.161982 -0.562497
H -5.548855 -0.300110 -1.727618
H 5.021925 -1.755667 -1.554721
H 6.434968 -0.661806 -1.673516
H 4.846185 -0.157143 -2.326803


