%chk=000023348.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023348

0 1
 O   -3.339500       1.404400     -0.9771000    
 N    2.977800       1.994800     -8.2500003E-02
 N   -6.414800     -8.8600002E-02  0.3962000    
 C    2.953400     -0.2214000      3.9299998E-02
 C    2.166700      0.8931000     -0.1392000    
 C    4.295700      0.2188000      0.2114000    
 C    4.283200       1.613000      0.1306000    
 C   0.7433000       1.024900     -0.3559000    
 C   -5.508400      0.4568000     -0.6032000    
 C    2.434300      -1.561900      3.9999999E-02
 C    5.523700     -0.4369000      0.4287000    
 C   -7.658000     -0.5484000     -0.2276000    
 C   -6.706600      0.9073000       1.430100    
 C   -4.201400      0.8937000      3.8899999E-02
 C    5.442000       2.387200      0.2567000    
 C   0.2355000       1.021200      -1.653200    
 C  -0.1151000       1.155300      0.7334000    
 C   -1.999700       1.279400     -0.7734000    
 C    6.691000      0.3246000      0.5570000    
 C    6.648400       1.714800      0.4719000    
 C   -1.137800       1.148600      -1.862200    
 C   -1.488400       1.282600      0.5245000    
 C    2.358500      -2.279300      -1.152900    
 C    2.007700      -2.142200       1.233600    
 C   -7.381500      -1.583500      -1.304900    
 C   -7.597000      0.3270000       2.515700    
 C    1.855000      -3.580200      -1.152100    
 C    1.504300      -3.443100       1.234400    
 C    1.427800      -4.162000      4.1700002E-02
 H    2.668700       2.952200     -0.1820000    
 H   -5.954900       1.300000      -1.147500    
 H   -5.235700     -0.2870000      -1.360100    
 H    5.574300      -1.519900      0.4974000    
 H   -8.295400      -1.050100      0.5076000    
 H   -8.233300      0.2825000     -0.6550000    
 H   -5.799100       1.207800       1.960300    
 H   -7.165500       1.812500       1.013100    
 H   -3.757600      2.7899999E-02  0.5486000    
 H   -4.338500       1.714600      0.7472000    
 H    5.409900       3.469500      0.1906000    
 H   0.8945000      0.9195000      -2.512100    
 H   0.2692000       1.165200       1.750500    
 H    7.641000     -0.1758000      0.7248000    
 H    7.567200       2.286600      0.5743000    
 H   -1.530300       1.145000      -2.875400    
 H   -2.120000       1.409600       1.398700    
 H    2.687100      -1.840400      -2.092000    
 H    2.060500      -1.595500       2.172200    
 H   -6.986100      -1.138000      -2.222900    
 H   -6.691800      -2.360100     -0.9570000    
 H   -8.317900      -2.081700      -1.581700    
 H   -8.636900      0.2206000       2.191700    
 H   -7.231300     -0.6445000       2.865600    
 H   -7.609000       1.000800       3.380100    
 H    1.795200      -4.140100      -2.080800    
 H    1.171500      -3.896100       2.163700    
 H    1.035600      -5.174800      4.2300001E-02


%chk=000023348-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000023348

0 1
O -3.423077 1.260747 -1.084180
N 2.993942 1.951487 -0.371501
N -6.822595 0.301569 0.125227
C 3.069753 -0.269833 0.172828
C 2.217361 0.783750 -0.222383
C 4.411622 0.289650 0.280422
C 4.329313 1.685706 -0.060119
C 0.760820 0.855067 -0.438389
C -5.790507 0.913625 -0.747526
C 2.715180 -1.694387 0.366484
C 5.685006 -0.261068 0.588549
C -8.025663 -0.166403 -0.612689
C -7.145457 1.147150 1.307674
C -4.392164 0.515173 -0.257445
C 5.454082 2.538513 -0.059392
C 0.217126 1.705257 -1.447265
C -0.148136 0.120396 0.368341
C -2.059775 1.076722 -0.820911
C 6.813388 0.581720 0.586879
C 6.699666 1.969182 0.275535
C -1.170277 1.819576 -1.637251
C -1.541776 0.218710 0.183540
C 1.881270 -2.384184 -0.559024
C 3.230323 -2.423853 1.475608
C -7.770002 -1.453117 -1.419618
C -7.668452 0.334759 2.507545
C 1.564975 -3.746696 -0.375583
C 2.918160 -3.789109 1.656515
C 2.082679 -4.458727 0.732657
H 2.596568 2.874821 -0.533829
H -5.862517 2.025490 -0.782578
H -5.915586 0.554430 -1.783778
H 5.789887 -1.327336 0.813698
H -8.815578 -0.371750 0.132182
H -8.427191 0.631522 -1.287621
H -6.217183 1.666228 1.612888
H -7.879908 1.949947 1.043934
H -4.241938 -0.575554 -0.374894
H -4.255965 0.781327 0.810547
H 5.370734 3.600499 -0.316503
H 0.890268 2.255799 -2.115627
H 0.241942 -0.529753 1.157213
H 7.799221 0.167525 0.825981
H 7.595883 2.599526 0.287951
H -1.587169 2.465900 -2.415675
H -2.207135 -0.364471 0.826578
H 1.491659 -1.845033 -1.429203
H 3.854825 -1.905995 2.212264
H -6.992726 -1.308702 -2.192327
H -7.435711 -2.262681 -0.747729
H -8.694264 -1.776844 -1.933754
H -8.616096 -0.183862 2.275223
H -6.927541 -0.428926 2.801595
H -7.855878 0.999877 3.371139
H 0.923178 -4.256682 -1.103283
H 3.322305 -4.328011 2.521295
H 1.840632 -5.518376 0.871889


