%chk=000018832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018832

0 1
 O    1.536400     -0.4584000     -0.9709000    
 O    1.899300      -1.795100      0.8743000    
 N  -0.9442000       1.173700     -0.4648000    
 C    2.068200      0.6655000     -0.2628000    
 C    1.174600      0.9395000      0.9698000    
 C    2.076000       1.881200      -1.214900    
 C  -0.3375000      0.7334000      0.7939000    
 C   0.7516000       2.230500      -1.894400    
 C  -0.4414000       2.452600     -0.9630000    
 C    3.521900      0.3828000      0.1501000    
 C   -2.402700       1.182100     -0.3409000    
 C   -2.919700     -0.1757000      0.1359000    
 C    4.052500      0.9969000       1.281800    
 C    4.301600     -0.4856000     -0.6094000    
 C    1.512600      -1.633300     -0.2749000    
 C   -4.423500     -0.1875000      0.2464000    
 C    5.371400      0.7405000       1.656500    
 C    5.620600     -0.7419000     -0.2348000    
 C   0.9267000      -2.710900      -1.156700    
 C    6.155500     -0.1288000      0.8982000    
 C   -5.021300      0.1786000       1.442900    
 C   -5.184100     -0.5644000     -0.8502000    
 C   0.8826000      -4.059100     -0.4591000    
 C   -6.412300      0.1678000       1.545200    
 C   -6.575300     -0.5753000     -0.7478000    
 C   -7.189400     -0.2092000      0.4498000    
 H    1.470500      0.3296000       1.833600    
 H    1.334400       1.975300       1.302600    
 H    2.798600       1.701700      -2.023600    
 H    2.440800       2.768800     -0.6802000    
 H  -0.5068000     -0.3410000      0.9175000    
 H  -0.8221000       1.230000       1.646300    
 H   0.5044000       1.457400      -2.634000    
 H   0.9084000       3.150900      -2.472100    
 H  -0.2071000       3.157000     -0.1557000    
 H   -1.210900       2.943400      -1.574000    
 H   -2.850500       1.403500      -1.318700    
 H   -2.729700       1.974600      0.3461000    
 H   -2.595100     -0.9722000     -0.5472000    
 H   -2.538000     -0.4498000       1.125900    
 H    3.482500       1.696300       1.884400    
 H    3.923200     -0.9569000      -1.512000    
 H    5.790000       1.222000       2.535400    
 H    6.233400      -1.413700     -0.8287000    
 H    1.540100      -2.790600      -2.060400    
 H  -8.9400001E-02  -2.413400      -1.436800    
 H    7.183300     -0.3263000       1.188400    
 H   -4.425700      0.4765000       2.301200    
 H   -4.715200     -0.8494000      -1.787700    
 H    1.887000      -4.383900     -0.1680000    
 H   0.4556000      -4.817800      -1.122000    
 H   0.2701000      -4.012300      0.4475000    
 H   -6.890700      0.4536000       2.477500    
 H   -7.180300     -0.8683000      -1.600900    
 H   -8.272500     -0.2173000      0.5293000    


%chk=000018832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018832

0 1
O 1.704428 -0.655875 -0.919587
O 1.873126 -1.990263 1.000236
N -1.023398 1.137338 -0.326540
C 2.146588 0.602664 -0.201487
C 1.204441 0.936003 0.987364
C 2.085659 1.690046 -1.309508
C -0.295859 0.599636 0.849590
C 0.712380 1.929599 -1.968052
C -0.446594 2.312272 -1.016812
C 3.619842 0.441388 0.223558
C -2.480679 1.191600 -0.094506
C -3.120261 -0.220704 0.049266
C 4.139686 1.072832 1.380410
C 4.515325 -0.269890 -0.617106
C 1.621694 -1.861425 -0.219263
C -4.631205 -0.133860 0.190985
C 5.514493 0.983827 1.696652
C 5.886165 -0.366520 -0.300071
C 1.183944 -2.971208 -1.166628
C 6.394547 0.262511 0.860143
C -5.232640 0.050623 1.463433
C -5.473040 -0.184234 -0.950623
C 0.958974 -4.314624 -0.451196
C -6.633856 0.180506 1.593491
C -6.874946 -0.055899 -0.826681
C -7.460972 0.128236 0.447429
H 1.549064 0.383191 1.878360
H 1.323039 2.015498 1.202027
H 2.817608 1.418874 -2.093670
H 2.453226 2.628945 -0.848293
H -0.408408 -0.500901 0.865005
H -0.773534 0.969281 1.794911
H 0.402003 1.024031 -2.519615
H 0.844316 2.744978 -2.709001
H -0.117263 3.121240 -0.316783
H -1.255197 2.750992 -1.630646
H -2.955863 1.696442 -0.956174
H -2.743600 1.786550 0.820322
H -2.837815 -0.808798 -0.843959
H -2.688640 -0.729413 0.931344
H 3.479080 1.633475 2.049140
H 4.128922 -0.760513 -1.517774
H 5.895602 1.475324 2.599095
H 6.558019 -0.930643 -0.957069
H 1.956879 -3.066784 -1.954519
H 0.269020 -2.630070 -1.687368
H 7.459345 0.189923 1.108121
H -4.597488 0.083025 2.357798
H -5.024898 -0.332407 -1.941507
H 1.874058 -4.641751 0.070945
H 0.670712 -5.093314 -1.179399
H 0.160296 -4.232445 0.306029
H -7.080549 0.317650 2.585100
H -7.509247 -0.103925 -1.719403
H -8.548129 0.224568 0.546387


