%chk=000045700.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045700

0 1
 O    1.039300      -1.547400     -7.0000000E-02
 O   -2.272000       1.943800     -0.4340000    
 O   0.3890000       1.142000     -0.4398000    
 O   -5.350000     -0.8197000      0.1459000    
 O    1.502100       3.683600     -0.3504000    
 N    3.733300      0.8979000      0.6357000    
 C   -1.193700      -2.085900      0.1161000    
 C  -0.5155000      -3.391600      0.2217000    
 C   0.9494000      -2.933600      0.3488000    
 C   -2.662400      -1.837500      0.1290000    
 C  -0.2803000      -1.135800     -4.6599999E-02
 C   -3.018000     -0.3603000     -2.1199999E-02
 C  -0.6335000      0.2419000     -0.2366000    
 C   -1.927100      0.6156000     -0.2147000    
 C   -4.297100      5.9000000E-02  9.9999997E-05
 C    1.901300      -3.770400     -0.4904000    
 C   -4.642000       1.513300     -0.1066000    
 C   -3.433500       2.347300      0.2959000    
 C   0.8440000       1.674500      0.7899000    
 C    1.985600       2.650200      0.5126000    
 C    3.194500       1.993900     -0.1583000    
 C    4.845800      0.2554000     -5.0799999E-02
 C    4.390500     -0.2963000      -1.395500    
 C    5.450200     -0.8397000      0.8192000    
 H  -0.8246000      -3.963100       1.101900    
 H  -0.6923000      -3.996100     -0.6742000    
 H    1.263900      -2.974300       1.400300    
 H   -3.065000      -2.214000       1.077400    
 H   -3.115500      -2.406100     -0.6922000    
 H    1.863900      -4.824500     -0.2002000    
 H    1.660600      -3.687600      -1.555900    
 H    2.928800      -3.409900     -0.3729000    
 H   -4.927200       1.728800      -1.142800    
 H   -5.490800       1.760700      0.5396000    
 H   -3.619000       3.402500      6.9300003E-02
 H   -3.230800       2.278400       1.373100    
 H   2.4400000E-02   2.223000       1.272600    
 H    1.172900      0.8804000       1.471300    
 H    2.299100       3.122500       1.451200    
 H    3.962100       2.760400     -0.3271000    
 H    2.864300       1.671400      -1.150900    
 H    5.638900      0.9933000     -0.2298000    
 H    4.037500       1.248100       1.543600    
 H   -5.022400      -1.731000      0.1970000    
 H    4.245700      0.4876000      -2.145400    
 H    3.465400     -0.8760000      -1.309200    
 H    5.152400     -0.9682000      -1.808400    
 H    4.720000      -1.628500       1.032800    
 H    6.309600      -1.302700      0.3223000    
 H    5.800000     -0.4352000       1.775400    
 H   0.7544000       4.113700      9.8399997E-02


%chk=000045700-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045700

0 1
O 0.575042 -2.665274 0.614568
O -1.360428 1.701889 -0.404024
O 0.890749 0.188715 0.098394
O -5.177681 -0.013979 -1.007019
O 0.536179 2.613821 1.546245
N 4.162646 1.826277 0.808158
C -1.715211 -2.523150 0.176120
C -1.505372 -3.992676 0.493158
C 0.053483 -4.096909 0.619406
C -3.009887 -1.820239 -0.141154
C -0.526272 -1.859522 0.271708
C -2.827993 -0.309954 -0.371191
C -0.367845 -0.421328 0.080734
C -1.508266 0.307855 -0.205381
C -3.882957 0.477627 -0.769014
C 0.725439 -4.840331 -0.538229
C -3.767569 1.964182 -0.978527
C -2.593331 2.495124 -0.144595
C 1.548618 0.356396 1.438944
C 1.792971 1.861748 1.621695
C 2.816967 2.402212 0.590570
C 4.992608 1.566320 -0.400444
C 4.488047 0.306635 -1.140242
C 6.462782 1.396604 0.034775
H -2.014226 -4.295063 1.432297
H -1.875482 -4.667104 -0.306121
H 0.368588 -4.510110 1.592920
H -3.741022 -1.989399 0.684110
H -3.471942 -2.288459 -1.045052
H 0.439042 -5.908845 -0.526057
H 0.417698 -4.404282 -1.505353
H 1.823701 -4.770498 -0.459934
H -3.622211 2.197432 -2.051081
H -4.704042 2.459063 -0.658489
H -2.318520 3.525395 -0.416862
H -2.821742 2.442821 0.937233
H 0.882521 -0.038310 2.226536
H 2.504168 -0.192415 1.414650
H 2.176715 2.035935 2.645471
H 2.796611 3.512894 0.648193
H 2.464144 2.123636 -0.418639
H 4.942032 2.428928 -1.112244
H 4.690240 2.345958 1.521067
H -5.199041 -1.004132 -0.969093
H 3.412125 0.375852 -1.380598
H 4.630412 -0.584945 -0.502400
H 5.043702 0.162076 -2.086141
H 6.547893 0.569719 0.764378
H 7.102963 1.161806 -0.833981
H 6.854317 2.319224 0.506098
H 0.044836 2.324579 0.721639


