%chk=000045230.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045230

0 1
 O  -0.5590000      -1.168900      6.2600002E-02
 O    5.576600     -0.2166000     -0.6529000    
 O   0.1288000      -3.284800      0.6532000    
 N   -5.103600      0.4973000     -0.1608000    
 C   -6.432700      0.1384000     -0.6919000    
 C   -7.187900       1.416600      -1.103800    
 C   -5.160500       1.426600      0.9729000    
 C   -7.277600       2.433500      3.0200001E-02
 C   -5.892900       2.715600      0.5996000    
 C   -4.278700     -0.6656000      0.1544000    
 C   -7.293800     -0.7350000      0.2338000    
 C   -2.801800     -0.3335000     -3.2699998E-02
 C   -1.916400      -1.535200      0.2682000    
 C   0.3654000      -2.142600      0.2918000    
 C    1.738400      -1.634600      4.3900002E-02
 C    7.262100       1.369200     -2.0300001E-02
 C    5.807700       1.172700     -0.4242000    
 C    7.576600       2.836700      0.2565000    
 C    2.836000      -2.476500      0.2228000    
 C    1.930600     -0.3161000     -0.3685000    
 C    4.318100     -0.6812000     -0.4230000    
 C    4.126000      -1.999900     -1.0800000E-02
 C    3.220400      0.1607000     -0.6019000    
 C    9.018400       3.023100      0.7011000    
 H   -6.278700     -0.4345000      -1.616600    
 H   -6.667900       1.880100      -1.953100    
 H   -8.196000       1.168100      -1.456500    
 H   -5.647900      0.9647000       1.840400    
 H   -4.153400       1.711600       1.296200    
 H   -7.725000       3.363400     -0.3381000    
 H   -7.934800       2.057400      0.8225000    
 H   -5.980600       3.360700       1.481200    
 H   -5.301800       3.268700     -0.1417000    
 H   -4.473400      -1.041400       1.167000    
 H   -4.509900      -1.488900     -0.5345000    
 H   -7.501900     -0.2514000       1.192700    
 H   -8.256700     -0.9566000     -0.2398000    
 H   -6.809200      -1.694700      0.4406000    
 H   -2.487400      0.4946000      0.6129000    
 H   -2.613500      3.5999999E-03  -1.060500    
 H   -2.055300      -1.852200       1.308600    
 H   -2.173300      -2.367500     -0.3977000    
 H    7.475900      0.7615000      0.8680000    
 H    7.916000      0.9826000     -0.8119000    
 H    5.177300       1.556700      0.3884000    
 H    5.594100       1.726800      -1.345500    
 H    7.396900       3.432500     -0.6460000    
 H    6.909800       3.220900       1.037100    
 H    2.707600      -3.507000      0.5433000    
 H    1.104200      0.3712000     -0.5262000    
 H    4.977400      -2.660100      0.1299000    
 H    3.324500       1.184500     -0.9488000    
 H    9.220200       2.466700       1.621900    
 H    9.222300       4.081300      0.8922000    
 H    9.714400       2.676700     -6.9700003E-02


%chk=000045230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045230

0 1
O -0.635265 -1.042686 0.115637
O 5.736347 -0.179212 0.057461
O 0.051099 -3.271909 0.145430
N -5.345572 0.451804 -0.166922
C -6.670871 0.052406 -0.734367
C -7.428625 1.326208 -1.190759
C -5.443889 1.405867 0.964961
C -7.572342 2.360796 -0.050042
C -6.182805 2.692081 0.539436
C -4.437155 -0.688769 0.088070
C -7.539171 -0.842906 0.200027
C -2.943543 -0.290836 0.013193
C -2.045147 -1.521750 0.140198
C 0.343983 -2.047810 0.122793
C 1.720975 -1.494321 0.100639
C 7.604700 1.355652 0.069438
C 6.078291 1.259362 0.068523
C 8.095938 2.822202 0.100658
C 2.813182 -2.406742 0.091417
C 1.983919 -0.101417 0.091739
C 4.387763 -0.540577 0.069555
C 4.133659 -1.938508 0.075026
C 3.307376 0.381757 0.077020
C 9.636360 2.923141 0.102030
H -6.444954 -0.543452 -1.642556
H -6.857917 1.786562 -2.020545
H -8.422729 1.040207 -1.585918
H -5.961457 0.954537 1.851397
H -4.420573 1.662488 1.294063
H -8.058852 3.279006 -0.430745
H -8.230498 1.962152 0.748027
H -6.277604 3.368506 1.411007
H -5.574122 3.211483 -0.226149
H -4.634825 -1.181065 1.075496
H -4.635750 -1.454002 -0.689244
H -7.860673 -0.310525 1.112705
H -8.448839 -1.175006 -0.333793
H -6.984210 -1.746551 0.511594
H -2.687552 0.424375 0.816807
H -2.758245 0.215702 -0.950830
H -2.211895 -2.068961 1.087780
H -2.190346 -2.234295 -0.693312
H 7.997658 0.808214 0.947476
H 7.998203 0.845068 -0.830266
H 5.647404 1.733420 0.974968
H 5.646610 1.748457 -0.829442
H 7.690780 3.368724 -0.775408
H 7.692186 3.329118 1.000878
H 2.597137 -3.479970 0.098096
H 1.142800 0.597572 0.096892
H 4.985296 -2.625055 0.067800
H 3.486418 1.460469 0.071175
H 10.065720 2.409263 0.982259
H 9.970597 3.976120 0.127948
H 10.065123 2.453508 -0.802820


