%chk=000056747.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056747

0 1
 O   -6.273200      0.8392000      0.7611000    
 O   -2.896000      -1.203600      -1.362400    
 N    5.404700     -9.4899997E-02 -0.1339000    
 N  -0.9609000      0.4646000     -0.3752000    
 N   -2.303700      0.6143000     -6.9399998E-02
 N   -4.895600      0.9257000      0.6011000    
 C    4.018900     -1.4000000E-03  0.1109000    
 C    6.023900      -1.385100     -0.3643000    
 C    6.230400       1.096300     -0.1445000    
 C    1.277700      0.1839000      0.5948000    
 C    3.232700      -1.153600      0.1187000    
 C    3.434400       1.243400      0.3449000    
 C    1.862000      -1.060900      0.3607000    
 C    2.063900       1.336000      0.5869000    
 C  -0.1875000      0.2829000      0.8545000    
 C    6.304200      -2.101400      0.9459000    
 C    6.140200       1.814800      -1.480100    
 C   -3.215100     -0.2786000     -0.6157000    
 C   -4.615300     -6.7100003E-02 -0.2197000    
 C   -5.707500     -0.8148000     -0.6229000    
 C   -6.745200     -0.2010000      2.7300000E-02
 C   -8.193000     -0.4385000      8.1400000E-02
 H    5.447900      -2.013100      -1.053300    
 H    6.984000      -1.242700     -0.8779000    
 H    7.280400      0.8152000      1.1800000E-02
 H    6.010100       1.769100      0.6920000    
 H    3.623600      -2.149600     -5.6100000E-02
 H    3.988100       2.175500      0.3533000    
 H    1.259500      -1.965500      0.3628000    
 H    1.619700       2.311700      0.7666000    
 H  -0.5245000     -0.6239000       1.374800    
 H  -0.3745000       1.113100       1.549500    
 H    6.956900      -1.498700       1.586900    
 H    5.393400      -2.313800       1.512600    
 H    6.808800      -3.053700      0.7535000    
 H    6.452600       1.155700      -2.297500    
 H    5.127600       2.159800      -1.706400    
 H    6.800000       2.688400      -1.482300    
 H  -0.6708000       1.328000     -0.8339000    
 H   -2.582600       1.378400      0.5388000    
 H   -5.759900      -1.669400      -1.281000    
 H   -8.511000     -0.6449000       1.107900    
 H   -8.740400      0.4378000     -0.2790000    
 H   -8.476500      -1.294000     -0.5396000    


%chk=000056747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056747

0 1
O -6.538800 0.976438 0.081367
O -2.865321 -1.804281 -0.389147
N 5.433095 -0.102495 -0.092250
N -1.010038 0.402337 -0.514952
N -2.407641 0.518863 -0.416074
N -5.086027 1.058596 -0.081419
C 4.062319 0.140797 0.082576
C 5.932535 -1.403392 -0.576978
C 6.444437 0.927112 0.211420
C 1.238612 0.634303 0.453040
C 3.088497 -0.896344 -0.099944
C 3.571582 1.435404 0.448350
C 1.716948 -0.648128 0.079734
C 2.192784 1.664365 0.627380
C -0.244699 0.875729 0.669950
C 6.144183 -2.447335 0.546367
C 6.729010 1.889112 -0.967649
C -3.229564 -0.598134 -0.331524
C -4.683809 -0.234325 -0.162139
C -5.776356 -1.161013 -0.062878
C -6.911230 -0.383394 0.087456
C -8.368391 -0.670242 0.246970
H 5.241763 -1.803365 -1.342627
H 6.893357 -1.225096 -1.096632
H 7.381141 0.410067 0.494655
H 6.131514 1.501440 1.103759
H 3.403134 -1.908861 -0.368428
H 4.261638 2.273971 0.577924
H 0.992936 -1.456925 -0.072434
H 1.856614 2.671934 0.905315
H -0.621424 0.300303 1.537348
H -0.419629 1.956393 0.891357
H 6.875476 -2.080137 1.289241
H 5.199038 -2.654769 1.077304
H 6.525643 -3.397902 0.128510
H 7.094028 1.330523 -1.848603
H 5.815033 2.430879 -1.267137
H 7.499447 2.631857 -0.687402
H -0.647784 0.745451 -1.413784
H -2.859217 1.441856 -0.310357
H -5.693260 -2.243010 -0.100688
H -8.751549 -0.263962 1.200218
H -8.955514 -0.213301 -0.569709
H -8.542115 -1.757716 0.236112


