%chk=000046942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046942

2 1
 O  -0.3442000      0.2937000     -0.3810000    
 N   -3.017200     -0.5573000      5.2000000E-03
 N    3.321400     -0.3314000      7.1999999E-03
 C   -2.673100      0.8574000     -0.2822000    
 C   -1.270300       1.192400      0.2140000    
 C    1.907500     -0.5044000     -0.5284000    
 C   0.9666000      0.4758000      0.1389000    
 C   -2.915300     -0.8486000       1.508700    
 C   -4.450200     -0.8719000     -0.4459000    
 C   -2.065300      -1.510200     -0.7309000    
 C    3.324500     -0.5542000       1.512700    
 C    4.242800      -1.344300     -0.6573000    
 C    3.811100       1.076700     -0.2982000    
 C  -0.8382000       2.626400     -6.2799998E-02
 H   -2.746200       1.000000      -1.367600    
 H   -3.420100       1.498300      0.2017000    
 H   -1.239400       1.076900       1.303600    
 H    1.930800     -0.3572000      -1.615200    
 H    1.595200      -1.539200     -0.3414000    
 H   0.9187000      0.3266000       1.220800    
 H    1.302900       1.488000     -8.0200002E-02
 H   -3.332900      -1.844500       1.688900    
 H   -1.869200     -0.8442000       1.824200    
 H   -3.497100     -9.3800001E-02   2.045900    
 H   -5.129000     -0.1981000      8.5100003E-02
 H   -4.509600     -0.7059000      -1.525500    
 H   -4.678800      -1.913600     -0.2018000    
 H   -2.583600      -2.469000     -0.8480000    
 H   -1.846900      -1.113100      -1.726600    
 H   -1.177800      -1.717200     -0.1284000    
 H    2.809400      -1.494600       1.730400    
 H    4.366800     -0.6156000       1.842400    
 H    2.848800      0.2886000       2.020100    
 H    4.226200      -1.169200      -1.737100    
 H    5.254800      -1.208200     -0.2647000    
 H    3.876100      -2.348700     -0.4255000    
 H    3.636700       1.288600      -1.357200    
 H    3.303400       1.801400      0.3431000    
 H    4.884000       1.114500     -8.2999997E-02
 H  -0.5312000       2.758100      -1.106000    
 H  -7.1000000E-03   2.940100      0.5772000    
 H   -1.660000       3.320900      0.1435000    


%chk=000046942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046942

2 1
O -0.221850 0.299646 -0.081870
N -3.171306 -0.656852 -0.147445
N 3.531347 -0.289759 0.048422
C -2.609100 0.781091 -0.293542
C -1.319998 1.151153 0.463877
C 2.011285 -0.492921 -0.142098
C 1.115771 0.615614 0.446144
C -3.144282 -1.126669 1.305582
C -4.629669 -0.631891 -0.629694
C -2.386584 -1.641683 -1.020283
C 3.884194 -0.123786 1.529378
C 4.238357 -1.542748 -0.490087
C 4.033590 0.925660 -0.738901
C -1.066152 2.659424 0.265630
H -2.466321 0.947205 -1.375275
H -3.409612 1.452754 0.060939
H -1.417747 0.938701 1.549607
H 1.831515 -0.558265 -1.228956
H 1.762672 -1.465420 0.315358
H 1.104599 0.597947 1.555193
H 1.431730 1.619152 0.103805
H -3.705514 -2.070726 1.378674
H -2.103390 -1.294715 1.616940
H -3.619804 -0.367702 1.945766
H -5.233948 -0.033103 0.068851
H -4.668911 -0.188170 -1.636211
H -5.011509 -1.663497 -0.663633
H -2.773022 -2.656447 -0.839231
H -2.532768 -1.372367 -2.077608
H -1.323629 -1.566485 -0.757333
H 3.478169 -0.975916 2.095665
H 4.979794 -0.101656 1.631160
H 3.466175 0.820557 1.907229
H 3.965728 -1.685295 -1.546844
H 5.326426 -1.403822 -0.403228
H 3.927244 -2.416913 0.101788
H 3.759764 0.807455 -1.798380
H 3.590326 1.845687 -0.332400
H 5.128656 0.978533 -0.643427
H -0.893448 2.903046 -0.797349
H -0.201103 3.006534 0.854520
H -1.932677 3.246649 0.617964


