%chk=000048865.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048865

0 1
 O   -3.425400      0.2242000     -0.1737000    
 N    1.509700     -0.7464000      0.2250000    
 N  -0.8752000     -0.7985000      0.4564000    
 N   0.3004000      -2.778300     -6.2500000E-02
 N    1.125500       2.884900     -0.3059000    
 N    2.489900      -3.765800     -0.7671000    
 C   -3.275100     -0.8038000      0.7968000    
 C   -2.060100      -1.645800      0.4533000    
 C   -4.553200       1.042800      0.1044000    
 C   0.2664000      -1.360100      0.2045000    
 C    1.839100      0.6242000      0.1283000    
 C   -4.659300       2.114200     -0.9598000    
 C    3.135000       1.058800      0.3582000    
 C   0.8774000       1.560400     -0.1971000    
 C    3.429300       2.413900      0.2559000    
 C    2.398400       3.278200     -7.5900003E-02
 C    1.477100      -3.302900     -0.4408000    
 H   -3.150500     -0.3526000       1.788500    
 H   -4.170200      -1.436100      0.8056000    
 H   -2.214500      -2.075900     -0.5439000    
 H   -1.982100      -2.445000       1.199600    
 H   -5.463300      0.4325000      0.1053000    
 H   -4.437800       1.511100       1.088400    
 H    2.332500      -1.327800      0.3554000    
 H   -5.518700       2.764700     -0.7757000    
 H   -3.751300       2.726000     -0.9826000    
 H   -4.763600       1.663000      -1.952100    
 H    3.924200      0.3585000      0.6173000    
 H  -0.1510000       1.310000     -0.4234000    
 H  -0.5472000      -3.332100     -5.7399999E-02
 H    4.433800       2.782000      0.4303000    
 H    2.575800       4.344600     -0.1683000    


%chk=000048865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048865

0 1
O -3.461847 -0.599704 -0.181132
N 0.990927 0.336581 -0.303218
N -0.741899 0.039728 1.301056
N -0.927877 -0.901666 -0.925727
N 2.860123 1.946886 2.535370
N 0.185436 -1.724800 -3.065992
C -3.287760 -0.106984 1.204070
C -1.960609 -0.663390 1.750446
C -4.621911 -0.020385 -0.889181
C -0.247106 -0.159450 0.108569
C 1.995576 0.976775 0.460581
C -4.687698 -0.639961 -2.284283
C 3.218760 1.290640 -0.194431
C 1.861957 1.334053 1.835227
C 4.244102 1.928626 0.528194
C 4.027491 2.237363 1.891772
C -0.343949 -1.341901 -2.055482
H -3.279143 1.002530 1.211759
H -4.137948 -0.471416 1.816667
H -1.929408 -1.750669 1.515054
H -1.995317 -0.567938 2.850782
H -5.537571 -0.249027 -0.305477
H -4.502660 1.082520 -0.938892
H 1.216190 0.198887 -1.293279
H -5.558440 -0.239401 -2.833602
H -3.779611 -0.407382 -2.868108
H -4.792569 -1.736505 -2.220403
H 3.362869 1.031207 -1.251178
H 0.930674 1.116680 2.360173
H -1.979778 -0.928568 -0.810350
H 5.194620 2.178979 0.046494
H 4.800373 2.730593 2.491522


