%chk=000045966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045966

1 1
 O   -2.041300      0.4130000      0.9647000    
 O   -2.488600      0.9269000      -1.258400    
 N    3.422800      0.4129000     -0.2540000    
 N   -4.211200      0.6913000      0.2776000    
 C    1.928700      0.4079000      7.8199998E-02
 C  -8.5800000E-02 -0.7764000      0.2533000    
 C    4.199900      0.8436000      0.9867000    
 C    3.665600       1.379700      -1.409600    
 C    3.925400     -0.9665000     -0.6751000    
 C  -0.8569000      -2.049000      0.1318000    
 C    1.276000     -0.7723000     -4.9300000E-02
 C    1.384600       1.584300      0.4719000    
 C  -0.7122000      0.3998000      0.6653000    
 C   2.3000000E-02   1.580100      0.7745000    
 C  -0.3439000      -3.140300       1.089400    
 C  -0.8794000      -2.586700      -1.311000    
 C   -2.890400      0.7002000     -0.1209000    
 C   -5.316400      0.9515000     -0.6152000    
 H   -1.905100      -1.886400      0.4083000    
 H    3.939500      0.1749000       1.813500    
 H    5.268600      0.7645000      0.7623000    
 H    3.965300       1.882700       1.233200    
 H    3.441100       2.402300      -1.094300    
 H    4.722500       1.316900      -1.688400    
 H    3.035900       1.081900      -2.254100    
 H    3.416900      -1.280400      -1.592700    
 H    4.996400     -0.8784000     -0.8908000    
 H    3.800200      -1.673100      0.1522000    
 H    1.719500      -1.705100     -0.3644000    
 H    1.933000       2.513800      0.5634000    
 H  -0.4586000       2.500000       1.095200    
 H  -0.9891000      -4.024600       1.043700    
 H  -0.3414000      -2.779800       2.124100    
 H   0.6741000      -3.460100      0.8428000    
 H   -1.530300      -3.465000      -1.382500    
 H   0.1167000      -2.883800      -1.656100    
 H   -1.262100      -1.828400      -2.003100    
 H   -4.417700      0.4890000       1.251000    
 H   -5.962700      7.0500001E-02 -0.6231000    
 H   -4.968800       1.165700      -1.628400    
 H   -5.875200       1.806000     -0.2260000    


%chk=000045966-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045966

1 1
O -2.074351 0.655080 0.913006
O -2.678014 0.405059 -1.380070
N 3.544137 0.399888 -0.225295
N -4.274769 0.733756 0.328338
C 2.041511 0.418548 0.079772
C -0.139368 -0.714646 0.201469
C 4.330841 0.810025 1.028203
C 3.844134 1.380558 -1.369235
C 4.043993 -0.978357 -0.654375
C -0.960489 -1.998516 0.077294
C 1.255866 -0.738977 -0.061831
C 1.470505 1.641777 0.499804
C -0.704169 0.527443 0.595325
C 0.088972 1.684802 0.753844
C -0.429065 -3.101126 1.033222
C -1.004044 -2.495837 -1.392937
C -3.026513 0.578358 -0.192893
C -5.482776 0.733587 -0.510526
H -1.995823 -1.769006 0.385749
H 4.095615 0.100378 1.834848
H 5.407192 0.789092 0.796159
H 4.033560 1.822131 1.332623
H 3.548524 2.394370 -1.068119
H 4.922926 1.352582 -1.589496
H 3.261025 1.076052 -2.250601
H 3.526339 -1.287447 -1.573447
H 5.124870 -0.903363 -0.847352
H 3.862662 -1.703049 0.152038
H 1.688384 -1.692489 -0.374258
H 2.057872 2.556911 0.625583
H -0.391663 2.614597 1.070062
H -1.078586 -3.991991 0.971914
H -0.414482 -2.759808 2.083701
H 0.593756 -3.423103 0.759385
H -1.640440 -3.395573 -1.466794
H 0.004149 -2.773249 -1.756441
H -1.419953 -1.718670 -2.055459
H -4.352769 0.877029 1.336560
H -6.169071 -0.077239 -0.209626
H -5.180557 0.573283 -1.556776
H -6.011328 1.700236 -0.437666


