%chk=000053173.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053173

0 1
 O   -3.649500       1.455800      -1.200700    
 O   -10.18550     -0.7006000     -0.8716000    
 O   -9.565500      -2.220100      0.5865000    
 N    3.051700       1.437600     -0.1276000    
 N   0.4162000      0.6542000      0.8032000    
 N    6.780100       1.193000     -0.1886000    
 N   -3.302500      0.6670000      0.9530000    
 N   -9.310200      -1.235900     -0.1491000    
 C    2.848800      0.1657000      0.6173000    
 C    1.410500     -0.3604000      0.4344000    
 C    3.848800     -0.9360000      0.1521000    
 C    2.019900       2.425300      0.2166000    
 C    4.397600       2.018500      0.1034000    
 C    5.223200     -0.3855000      6.3000000E-03
 C   0.6123000       1.866500      2.0000001E-03
 C    5.442800      0.9718000     -3.5900000E-02
 C    6.482600      -1.028000     -0.1359000    
 C  -0.9401000      0.1355000      0.6332000    
 C    7.442400     -1.5600000E-02 -0.2554000    
 C   -1.961100       1.161600       1.102700    
 C    6.906400      -2.371400     -0.1778000    
 C    8.806700     -0.2863000     -0.4113000    
 C    8.268000      -2.654400     -0.3342000    
 C    9.201600      -1.626600     -0.4485000    
 C   -4.047900      0.8579000     -0.2046000    
 C   -5.427900      0.3081000     -0.1918000    
 C   -6.387900      0.8970000     -0.9884000    
 C   -5.705700     -0.7735000      0.6180000    
 C   -7.683700      0.3810000     -0.9746000    
 C   -7.001600      -1.289700      0.6317000    
 C   -7.990600     -0.7123000     -0.1645000    
 H    3.016500      0.3564000       1.688300    
 H    1.282000      -1.245200       1.070900    
 H    1.258100     -0.6841000     -0.6049000    
 H    3.538500      -1.344700     -0.8181000    
 H    3.846400      -1.760800      0.8745000    
 H    2.139200       3.313900     -0.4154000    
 H    2.127100       2.751400       1.260400    
 H    4.468200       2.449900       1.110300    
 H    4.576100       2.818900     -0.6241000    
 H  -5.9099998E-02   2.674500      0.3030000    
 H   0.4428000       1.671700      -1.065500    
 H   -1.065500     -0.7785000       1.228300    
 H   -1.132700     -0.1403000     -0.4123000    
 H    7.223100       2.100100     -0.2424000    
 H   -1.818100       1.393200       2.164200    
 H   -1.921100       2.098600      0.5434000    
 H    6.190300      -3.183500     -8.9800000E-02
 H    9.535200      0.5126000     -0.5016000    
 H    8.599600      -3.688900     -0.3665000    
 H    10.25430      -1.869500     -0.5691000    
 H   -3.712100      0.2202000       1.766000    
 H   -6.166200       1.751900      -1.620200    
 H   -4.957700      -1.273300       1.224600    
 H   -8.429000      0.8572000      -1.606700    
 H   -7.202900      -2.146900       1.269200    


%chk=000053173-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053173

0 1
O -3.849105 1.941529 -0.561650
O -10.511704 -0.277538 -0.611176
O -9.837907 -2.289058 0.228227
N 3.110142 1.378911 -0.375854
N 0.425824 0.574346 0.400457
N 6.895268 1.285046 -0.134149
N -3.311435 0.385255 1.081927
N -9.607379 -1.077773 -0.155905
C 2.892148 0.122604 0.409710
C 1.479661 -0.427428 0.119046
C 3.943902 -0.959304 0.045849
C 2.024778 2.366930 -0.149822
C 4.425738 2.027659 -0.116679
C 5.326821 -0.369263 -0.000286
C 0.646653 1.768686 -0.453069
C 5.519446 1.002378 -0.094660
C 6.637764 -0.988345 0.011385
C -0.947041 0.034217 0.308050
C 7.607884 0.077705 -0.070497
C -1.918244 0.845494 1.205230
C 7.097507 -2.329243 0.085046
C 8.997360 -0.165969 -0.080578
C 8.484784 -2.578366 0.076050
C 9.424518 -1.509080 -0.005849
C -4.184684 0.959989 0.174651
C -5.579700 0.379485 0.118119
C -6.608228 1.212441 -0.393697
C -5.889669 -0.949264 0.513192
C -7.932065 0.746672 -0.483690
C -7.208328 -1.434781 0.424221
C -8.212820 -0.573121 -0.065994
H 2.960469 0.340475 1.506818
H 1.312165 -1.313913 0.759178
H 1.452117 -0.760919 -0.949860
H 3.680712 -1.402704 -0.936854
H 3.882546 -1.775020 0.793809
H 2.203853 3.235020 -0.813114
H 2.025433 2.736207 0.907800
H 4.415282 2.587668 0.858474
H 4.596090 2.782332 -0.912201
H -0.132067 2.524028 -0.247775
H 0.588708 1.503224 -1.537850
H -0.933098 -1.018150 0.650829
H -1.339552 0.036243 -0.737394
H 7.308899 2.211646 -0.209468
H -1.594820 0.768709 2.257648
H -1.898727 1.908483 0.911287
H 6.385201 -3.160147 0.145704
H 9.724919 0.651344 -0.144047
H 8.852597 -3.609097 0.132047
H 10.496897 -1.734396 -0.011400
H -3.643580 -0.345215 1.711987
H -6.338177 2.220445 -0.722516
H -5.103332 -1.630596 0.857132
H -8.741138 1.373618 -0.866873
H -7.470385 -2.455099 0.715436


