%chk=000041356.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041356

0 1
 O    1.649300     -0.2811000     -0.4199000    
 O   -4.752700     -0.4414000     -2.7000001E-03
 O   -1.150500       2.806800     -0.2303000    
 O    2.681400      -2.834900      0.1173000    
 O   -3.928700       2.289000     -5.1300000E-02
 O  -0.4569000      -2.031500     -0.2884000    
 N    5.061300     -2.4800001E-02  0.4986000    
 C    3.220800      -1.666100      0.7411000    
 C    4.406400      -1.181700     -9.6799999E-02
 C    6.218700      0.3806000     -0.2874000    
 C    2.110500     -0.6261000      0.8742000    
 C  -0.6867000      0.3810000     -0.2662000    
 C   -2.629100      -1.151000     -0.1435000    
 C   -1.652900       1.502900     -0.2005000    
 C   -3.448500     -3.1700000E-02 -8.6900003E-02
 C   0.6356000      0.6435000     -0.3514000    
 C   -1.185500      -1.050100     -0.2374000    
 C   -2.979500       1.302600     -0.1142000    
 C    7.237300     -0.7540000     -0.3532000    
 C    6.834200       1.634800      0.3247000    
 C   -3.471500      -2.286700     -9.1899998E-02
 C   -4.753400      -1.799200     -6.8000001E-03
 C    1.100100       2.009100     -0.3784000    
 C   0.2087000       3.002500     -0.3184000    
 C   -6.070000      -2.446800      7.7900000E-02
 C   -4.198200       2.654300       1.291700    
 H    3.558000      -1.957500       1.743100    
 H    4.074300     -0.9576000      -1.118500    
 H    5.084600      -2.037800     -0.1780000    
 H    5.903200      0.6369000      -1.306700    
 H    2.483200      0.2583000       1.405800    
 H    1.290300      -1.059900       1.460300    
 H    5.344900     -0.2444000       1.453200    
 H    7.442700      -1.179300      0.6359000    
 H    8.190700     -0.3839000     -0.7486000    
 H    6.925500      -1.559700      -1.025100    
 H    6.103200       2.450000      0.3674000    
 H    7.195700       1.450600       1.342800    
 H    7.682600       1.982600     -0.2746000    
 H   -3.181200      -3.327600     -0.1138000    
 H    2.161600       2.217000     -0.4505000    
 H    3.381200      -3.509900      0.1026000    
 H   0.4598000       4.052500     -0.3339000    
 H   -6.581900      -2.157900       1.001000    
 H   -6.697400      -2.154500     -0.7699000    
 H   -5.975600      -3.537200      6.9700003E-02
 H   -4.602800       1.811400       1.862600    
 H   -4.952200       3.447000       1.282700    
 H   -3.302200       3.047200       1.785100    


%chk=000041356-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041356

0 1
O 1.970963 -1.246609 -1.734293
O -3.847758 0.271214 0.989378
O -0.344389 2.233521 -1.789959
O 3.947445 -3.377170 -1.678110
O -2.696063 2.640657 -0.518063
O -0.592772 -2.601263 -0.794984
N 4.211489 -0.638701 0.916759
C 3.583953 -2.585683 -0.494555
C 4.519124 -1.362900 -0.328315
C 4.596617 0.795907 0.983810
C 2.108800 -2.220825 -0.617290
C -0.224784 -0.191879 -1.112935
C -2.134409 -1.053423 0.209303
C -0.891813 1.119590 -1.087425
C -2.651245 0.253522 0.256120
C 1.039936 -0.248422 -1.753552
C -0.944327 -1.383612 -0.553963
C -2.086054 1.381876 -0.410288
C 6.127666 1.044574 0.887773
C 4.012874 1.406586 2.273836
C -3.060508 -1.892463 0.943632
C -4.078445 -1.087036 1.412161
C 1.497379 0.878374 -2.548434
C 0.796507 2.052629 -2.538129
C -5.312764 -1.305461 2.221011
C -3.101235 3.268128 0.758923
H 3.657245 -3.218338 0.422751
H 4.353348 -0.683558 -1.183620
H 5.578865 -1.720821 -0.397507
H 4.111440 1.287345 0.115227
H 1.772816 -1.735741 0.315666
H 1.471963 -3.089139 -0.838586
H 4.512312 -1.149239 1.758971
H 6.648842 0.608218 1.762204
H 6.352470 2.127435 0.864281
H 6.551873 0.591713 -0.027274
H 2.919274 1.262600 2.307547
H 4.452644 0.925061 3.169745
H 4.232211 2.487614 2.333395
H -2.964927 -2.966086 1.086900
H 2.422904 0.780162 -3.117779
H 4.924132 -3.547065 -1.663724
H 1.070076 2.960921 -3.077827
H -5.292995 -0.723623 3.161697
H -6.219618 -1.005167 1.663705
H -5.404099 -2.373268 2.478403
H -3.870152 2.663559 1.270781
H -3.513967 4.247656 0.474216
H -2.224444 3.404927 1.420916


