%chk=000050676.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050676

0 1
 O   -1.868400      -1.085000      0.5014000    
 O   -2.054300       1.329100      -1.061200    
 N    1.695800     -0.4777000     -0.2095000    
 N    4.338900      0.4804000      0.4647000    
 C   0.4746000      -1.232000      6.5300003E-02
 C    2.861900      -1.368600     -0.2465000    
 C    1.891100      0.5802000      0.7896000    
 C  -0.7236000     -0.2976000      0.1458000    
 C    4.143100     -0.5779000     -0.5338000    
 C    3.172500       1.370800      0.5038000    
 C   0.2664000      -2.306500     -0.9940000    
 C  -0.9730000      0.3998000      -1.184900    
 C    5.559500       1.235400      0.1880000    
 C   -3.040300     -0.3945000      0.3384000    
 C    6.785200      0.3401000      0.2515000    
 C   -3.128100      0.7815000     -0.4099000    
 C   -4.178600     -0.9201000      0.9504000    
 C   -4.344900       1.456600     -0.5104000    
 C   -5.397900     -0.2517000      0.8380000    
 C   -5.479800      0.9377000      0.1133000    
 H   0.5546000      -1.750400       1.032200    
 H    2.779000      -2.105000      -1.052500    
 H    2.969500      -1.918700      0.6982000    
 H    1.927100      0.1661000       1.806100    
 H    1.097800       1.331800      0.7582000    
 H  -0.6311000      0.4287000      0.9608000    
 H    4.962900      -1.303400     -0.5089000    
 H    4.101200     -0.1591000      -1.548500    
 H    3.066100       1.917500     -0.4434000    
 H    3.302200       2.116100       1.298100    
 H   0.4272000      -1.929600      -2.010600    
 H   0.9399000      -3.157500     -0.8433000    
 H  -0.7449000      -2.726200     -0.9581000    
 H  -0.1034000      0.9758000      -1.515400    
 H   -1.238000     -0.3004000      -1.986500    
 H    5.517100       1.737100     -0.7869000    
 H    5.678200       2.016700      0.9490000    
 H    6.793300     -0.2720000       1.159900    
 H    6.869100     -0.3167000     -0.6196000    
 H    7.689700      0.9586000      0.2662000    
 H   -4.121700      -1.841200       1.523900    
 H   -4.419400       2.378700      -1.080100    
 H   -6.284100     -0.6555000       1.319200    
 H   -6.429600       1.458100      3.0900000E-02


%chk=000050676-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050676

0 1
O -1.956224 -1.012183 0.559028
O -2.090185 1.189539 -1.362595
N 1.710043 -0.522765 0.018002
N 4.438158 0.428950 0.442513
C 0.440358 -1.292891 0.220728
C 2.887464 -1.305905 -0.439226
C 2.091543 0.253751 1.229761
C -0.744477 -0.305519 0.062082
C 4.061633 -0.361893 -0.753427
C 3.264427 1.197712 0.923800
C 0.280989 -2.507901 -0.715448
C -0.998033 0.187396 -1.367142
C 5.617530 1.305843 0.224900
C -3.158230 -0.311802 0.302165
C 6.922909 0.524345 -0.011327
C -3.218495 0.771577 -0.619814
C -4.318160 -0.709633 0.997805
C -4.431304 1.464323 -0.812332
C -5.534230 -0.022304 0.792987
C -5.588116 1.072151 -0.104677
H 0.380056 -1.676422 1.269929
H 2.630439 -1.861341 -1.355809
H 3.223059 -2.041455 0.333940
H 2.386632 -0.430794 2.063751
H 1.231447 0.854076 1.575532
H -0.592207 0.582856 0.706595
H 4.926441 -0.969282 -1.073858
H 3.768587 0.303445 -1.606976
H 2.926734 1.954037 0.169037
H 3.549318 1.738449 1.846121
H 0.420060 -2.239646 -1.778241
H 0.999982 -3.305941 -0.464713
H -0.736275 -2.916411 -0.589620
H -0.110700 0.704478 -1.760404
H -1.287582 -0.647827 -2.032171
H 5.446609 2.015952 -0.626956
H 5.732145 1.924856 1.135834
H 7.082706 -0.204479 0.802777
H 6.916540 -0.023413 -0.970655
H 7.782316 1.219122 -0.034514
H -4.244475 -1.547864 1.698104
H -4.447969 2.295932 -1.523962
H -6.431497 -0.335174 1.336963
H -6.527165 1.613553 -0.259584


