%chk=000044431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044431

0 1
 O   -1.401900     -0.2144000       1.021100    
 N   -2.571400       1.252200     -0.3472000    
 N   -5.882100     -0.4139000      1.3900000E-02
 C    1.098000      0.3845000     -0.1679000    
 C  -0.1915000       1.054600     -0.6470000    
 C    2.366900      0.8574000     -0.8909000    
 C   -3.886700      0.9889000      0.1888000    
 C   -4.569900     -0.1458000     -0.5603000    
 C   -1.428700      0.6204000      0.1207000    
 C    3.635700      0.2242000     -0.3781000    
 C    4.331400      0.8336000      0.6553000    
 C    4.086000     -0.9572000     -0.9478000    
 C   -6.554600      -1.490900     -0.7154000    
 C   -5.764500     -0.7587000       1.432100    
 C    5.505000      0.2480000       1.129900    
 C    5.259600      -1.542800     -0.4730000    
 C    5.969000     -0.9402000      0.5659000    
 H    1.000000     -0.7033000     -0.2805000    
 H    1.211800      0.5628000      0.9097000    
 H  -9.7199999E-02   2.142800     -0.5477000    
 H  -0.3497000      0.8287000      -1.708300    
 H    2.449900       1.948900     -0.8061000    
 H    2.269900      0.6572000      -1.966100    
 H   -4.462500       1.916800      9.9600002E-02
 H   -3.747000      0.7752000       1.251800    
 H   -4.674900      0.1426000      -1.614300    
 H   -3.936500      -1.043200     -0.5419000    
 H   -2.494100       1.920500      -1.108500    
 H    3.976800       1.757900       1.102700    
 H    3.539300      -1.435300      -1.755700    
 H   -6.668000      -1.227000      -1.772900    
 H   -6.006300      -2.438000     -0.6527000    
 H   -7.565500      -1.649700     -0.3236000    
 H   -6.723400      -1.130400       1.814500    
 H   -5.013400      -1.535800       1.615400    
 H   -5.542100      0.1172000       2.049000    
 H    6.057100      0.7168000       1.939200    
 H    5.620700      -2.468400     -0.9117000    
 H    6.882600      -1.396400      0.9357000    


%chk=000044431-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044431

0 1
O -1.357474 -1.243958 0.172067
N -2.368355 0.838329 -0.061766
N -5.994209 -0.257705 0.362525
C 1.213899 0.196498 -0.319504
C -0.121406 0.499912 -1.040181
C 2.446647 0.571992 -1.185678
C -3.602963 0.452982 0.639617
C -4.729448 0.048827 -0.343327
C -1.322072 -0.051228 -0.262515
C 3.761629 0.280477 -0.476602
C 4.446596 1.295169 0.240056
C 4.311170 -1.028306 -0.482860
C -7.166488 -0.200448 -0.535426
C -5.946962 -1.531961 1.112386
C 5.646240 1.012934 0.932951
C 5.510005 -1.316068 0.206806
C 6.182609 -0.295224 0.918677
H 1.239365 -0.879915 -0.070051
H 1.256298 0.744625 0.641759
H -0.223545 1.588127 -1.224267
H -0.111105 0.002558 -2.031109
H 2.390290 1.646497 -1.451074
H 2.393329 0.003298 -2.135852
H -3.956520 1.289505 1.269027
H -3.338144 -0.393984 1.294390
H -4.922309 0.896840 -1.029211
H -4.367837 -0.806568 -0.968430
H -2.291417 1.783069 -0.441092
H 4.038518 2.313957 0.251269
H 3.795815 -1.824983 -1.034432
H -7.221472 0.792170 -1.017258
H -7.149293 -0.977648 -1.341554
H -8.090362 -0.344982 0.053404
H -6.894374 -1.667496 1.663901
H -5.797437 -2.422202 0.450485
H -5.128337 -1.517736 1.850835
H 6.162774 1.810899 1.478899
H 5.920531 -2.332213 0.188033
H 7.113614 -0.516242 1.452802


