%chk=000054154.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054154

0 1
 O  -6.6299997E-02   1.236300      0.1470000    
 O    1.657600       1.533100       1.645000    
 N   -4.227700       1.178300     -0.5567000    
 C    1.897000     -2.7400000E-02 -0.2252000    
 C    1.553200      -1.455000      0.2528000    
 C   0.1623000      -1.966600     -0.1471000    
 C  -0.1073000      -3.407000      0.2926000    
 C    3.390700      0.2511000     -0.2933000    
 C   -2.950100       1.013000      0.1258000    
 C   -2.200700       2.340500      0.1757000    
 C    1.182400      0.9979000      0.6518000    
 C   -1.464700      -3.895300     -0.2152000    
 C  -0.8506000       2.194500      0.8645000    
 C   -4.702400     -0.1037000      -1.080700    
 C   -5.223800       1.757200      0.3468000    
 C    3.900200       1.083300      -1.290200    
 C    4.251000     -0.3252000      0.6413000    
 C   -1.722600      -5.339100      0.1854000    
 C   -4.957400      -1.095100      4.1900001E-02
 C   -6.541700       1.996800     -0.3701000    
 C    5.270000       1.338900      -1.352600    
 C    5.620800     -6.9300003E-02  0.5789000    
 C    6.130300      0.7627000     -0.4181000    
 H    1.515400      8.3899997E-02  -1.250200    
 H    2.285500      -2.160800     -0.1621000    
 H    1.638900      -1.517000       1.345800    
 H  -0.6052000      -1.319800      0.2913000    
 H   5.7799999E-02  -1.893800      -1.236600    
 H   0.6839000      -4.060800     -9.4099998E-02
 H  -7.3299997E-02  -3.470000       1.386800    
 H   -3.063600      0.6151000       1.142300    
 H   -2.326000      0.3008000     -0.4284000    
 H   -2.041000       2.699200     -0.8493000    
 H   -2.770800       3.108200      0.7084000    
 H   -1.506200      -3.814200      -1.307700    
 H   -2.262500      -3.260400      0.1875000    
 H  -0.3325000       3.160300      0.8650000    
 H  -0.9862000       1.857200       1.898700    
 H   -5.594300      1.1300000E-02  -1.705700    
 H   -3.947600     -0.5191000      -1.761400    
 H   -5.384000       1.180800       1.264900    
 H   -4.880100       2.744100      0.6772000    
 H    3.240900       1.541000      -2.022900    
 H    3.884000     -0.9636000       1.439100    
 H   -2.698800      -5.666700     -0.1857000    
 H   -1.718200      -5.450500       1.274400    
 H  -0.9598000      -6.004400     -0.2317000    
 H   -4.082500      -1.280500      0.6712000    
 H   -5.803100     -0.8207000      0.6784000    
 H   -5.219200      -2.063300     -0.4022000    
 H   -6.395300       2.509900      -1.326900    
 H   -7.099600       1.072200     -0.5459000    
 H   -7.182800       2.637000      0.2465000    
 H    5.666700       1.987600      -2.128200    
 H    6.290700     -0.5146000       1.308800    
 H    7.196700      0.9628000     -0.4658000    


%chk=000054154-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000054154

0 1
O 0.275743 1.721189 -0.778838
O 0.443802 0.905170 1.405503
N -4.099014 0.968662 -0.467294
C 1.762867 -0.138813 -0.417766
C 1.461060 -1.582565 0.082117
C 0.080047 -2.109637 -0.362413
C -0.186750 -3.562415 0.091155
C 3.201555 0.284073 -0.088105
C -2.698773 1.241992 -0.058831
C -2.101225 2.467399 -0.787236
C 0.770969 0.852984 0.195778
C -1.579680 -4.082693 -0.331459
C -0.671596 2.798288 -0.339507
C -4.454506 -0.473815 -0.438489
C -5.077379 1.867731 0.195628
C 4.147428 0.450657 -1.129933
C 3.618241 0.478830 1.254777
C -1.843740 -5.535618 0.119498
C -4.499270 -1.148662 0.962059
C -6.474894 1.836177 -0.451264
C 5.487274 0.796143 -0.840171
C 4.955500 0.827439 1.544659
C 5.896320 0.984690 0.499704
H 1.627297 -0.098698 -1.513610
H 2.258990 -2.247524 -0.302744
H 1.529565 -1.598673 1.186721
H -0.713762 -1.454094 0.051667
H -0.002056 -2.048605 -1.468203
H 0.595617 -4.229845 -0.327225
H -0.092715 -3.626253 1.195188
H -2.592701 1.383315 1.045318
H -2.092122 0.354986 -0.319723
H -2.127270 2.288074 -1.877492
H -2.720440 3.366798 -0.594850
H -1.675162 -4.012080 -1.434552
H -2.359349 -3.416371 0.092055
H -0.293413 3.707511 -0.835067
H -0.597257 2.899288 0.758470
H -5.433967 -0.599048 -0.935830
H -3.716966 -1.004867 -1.071401
H -5.168101 1.653899 1.291497
H -4.682280 2.898020 0.116735
H 3.833417 0.310869 -2.171662
H 2.889536 0.373063 2.066786
H -2.844367 -5.883500 -0.197143
H -1.788045 -5.624734 1.220904
H -1.094316 -6.226879 -0.310337
H -3.527392 -1.058904 1.481233
H -5.274632 -0.697838 1.608100
H -4.732676 -2.225044 0.858323
H -6.395491 2.022228 -1.537068
H -6.983229 0.866331 -0.303087
H -7.117603 2.617883 -0.005945
H 6.207172 0.920658 -1.657148
H 5.264071 0.979033 2.585374
H 6.933768 1.254893 0.726943


