%chk=000022885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022885

0 1
 O   -1.308400      -2.424200      0.7471000    
 O  -0.2243000      -1.022600       2.164400    
 N   -4.465600      0.5683000     -0.1849000    
 C  -0.6747000     -0.2829000     -0.1433000    
 C   -2.013000      0.5286000     -8.7499999E-02
 C  -0.5881000      -1.129400      -1.454700    
 C   0.5901000      0.6012000     -3.3799998E-02
 C   -3.294700     -0.3032000     -0.2430000    
 C  -0.6962000      -1.250600       1.058600    
 C    1.842900      2.5100000E-02 -3.0099999E-02
 C  -0.5604000     -0.3240000      -2.750400    
 C   0.3603000       1.952200      5.5700000E-02
 C    2.959500      0.8884000      7.2400004E-02
 C    2.052400      -1.360500     -0.1226000    
 C    1.458500       2.801100      0.1562000    
 C    2.750300       2.274200      0.1646000    
 C   -4.540600       1.240400       1.112500    
 C   -5.687300     -0.1970000     -0.4340000    
 C    4.252800      0.3408000      7.9400003E-02
 C    3.344200      -1.887400     -0.1139000    
 C    4.442300      -1.038300     -1.2900000E-02
 H   -2.031800       1.031900      0.8863000    
 H   -2.032700       1.295800     -0.8720000    
 H   0.2195000      -1.850000      -1.537800    
 H   -1.469400      -1.778800      -1.529800    
 H   -3.363100      -1.077400      0.5284000    
 H   -3.291500     -0.8004000      -1.217700    
 H  -0.5477000      -1.003200      -3.609900    
 H   0.3319000      0.3050000      -2.817000    
 H   -1.444200      0.3115000      -2.853500    
 H  -0.6041000       2.439600      6.2600002E-02
 H    1.286000      -2.118700     -6.8599999E-02
 H    1.311900       3.875000      0.2298000    
 H    3.594000       2.956500      0.2444000    
 H   -3.794300       2.034800       1.207000    
 H   -4.441700      0.5451000       1.954000    
 H   -5.504900       1.752500       1.220500    
 H   -6.561200      0.4641000     -0.4450000    
 H   -5.850900     -0.9731000      0.3226000    
 H   -5.648800     -0.6770000      -1.418300    
 H    5.125700      0.9854000      0.1589000    
 H   -1.320400      -3.042600       1.508400    
 H    3.493600      -2.962600     -0.1557000    
 H    5.447500      -1.449600      1.0000000E-03


%chk=000022885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022885

0 1
O -0.939692 -2.642160 0.612166
O -0.654834 -0.953233 2.164561
N -4.506263 0.566651 -0.014304
C -0.688867 -0.328775 -0.242387
C -2.005887 0.516525 -0.079093
C -0.682086 -1.081183 -1.620644
C 0.580276 0.565603 -0.115747
C -3.311353 -0.305585 -0.129397
C -0.731266 -1.292066 0.964335
C 1.908544 -0.017211 0.002794
C -0.806232 -0.151146 -2.846640
C 0.470804 1.961562 -0.167384
C 3.064745 0.863026 0.056497
C 2.159342 -1.432112 0.078728
C 1.609795 2.821476 -0.115267
C 2.887855 2.283084 -0.006831
C -4.708244 1.105308 1.347933
C -5.728411 -0.095282 -0.517011
C 4.382387 0.308354 0.177742
C 3.453324 -1.943479 0.199049
C 4.582070 -1.069675 0.247581
H -1.939886 1.058204 0.881512
H -2.067778 1.266494 -0.885602
H 0.254566 -1.657756 -1.709388
H -1.496851 -1.826086 -1.627713
H -3.306788 -1.097076 0.664119
H -3.379173 -0.828269 -1.101222
H -0.692000 -0.739137 -3.775512
H -0.023801 0.628578 -2.843045
H -1.789161 0.351806 -2.894195
H -0.511404 2.431622 -0.248238
H 1.329138 -2.141570 0.047119
H 1.463792 3.906132 -0.159972
H 3.771149 2.931353 0.035045
H -3.823885 1.676164 1.675775
H -4.903007 0.305947 2.107919
H -5.571299 1.794739 1.345465
H -6.572597 0.617141 -0.489891
H -6.023991 -0.998478 0.076294
H -5.580218 -0.408350 -1.565873
H 5.235537 0.996429 0.217667
H -1.001418 -3.173636 1.453152
H 3.604252 -3.027188 0.256942
H 5.592216 -1.482743 0.341356


