%chk=000034462.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034462

0 1
 O   -2.268400       1.834700      0.3850000    
 O    3.343200      -1.245100     -0.7979000    
 N   -1.538600      -2.159000      5.6400001E-02
 N    4.873900      0.4144000     -0.2487000    
 N    5.642900      0.1954000      -1.373100    
 C   -1.864200     -0.9581000      0.8248000    
 C  -0.7375000      4.0399998E-02  0.8094000    
 C   -2.628200      -3.130900      0.1408000    
 C   -1.267400      -1.815000      -1.339000    
 C  -0.9985000       1.386400      0.5908000    
 C   0.5595000     -0.4099000       1.018400    
 C    1.614400      0.5026000       1.008400    
 C   5.6600001E-02   2.298900      0.5808000    
 C    1.363000       1.857000      0.7897000    
 C   -2.531800       2.488900     -0.8546000    
 C   -2.883000      -3.546200       1.579900    
 C  -0.9269000      -3.051700      -2.153000    
 C    3.011300      3.0500000E-02   1.231600    
 C   -2.974100       3.918600     -0.5824000    
 C   -3.587100       1.705200      -1.619900    
 C    3.741000     -0.3570000     -4.7499999E-02
 H   -2.016500      -1.187100       1.885700    
 H   -2.799900     -0.5191000      0.4579000    
 H   -2.366400      -4.056700     -0.3811000    
 H   -3.555400      -2.750400     -0.3060000    
 H   -2.123600      -1.312700      -1.804100    
 H  -0.4094000      -1.141200      -1.431600    
 H   0.7644000      -1.461300       1.203900    
 H  -0.1195000       3.358800      0.4225000    
 H    2.176600       2.577600      0.7801000    
 H   -1.633400       2.522800      -1.486000    
 H    3.014400     -0.8528000       1.883600    
 H    3.572400      0.7932000       1.786100    
 H   -3.523600      -4.435400       1.596800    
 H   -3.408300      -2.775300       2.151700    
 H   -1.953800      -3.804900       2.099200    
 H  -0.5010000      -2.747900      -3.116300    
 H   -1.807000      -3.659500      -2.384600    
 H  -0.1796000      -3.676400      -1.651700    
 H   -3.188200       4.452600      -1.513200    
 H   -2.202700       4.470300     -3.5900000E-02
 H   -3.872900       3.934900      4.4000000E-02
 H   -3.834600       2.191000      -2.568600    
 H   -3.236200      0.6920000      -1.832500    
 H   -4.503500       1.603200      -1.028100    
 H    5.166800       1.144600      0.3927000    
 H    6.591400      7.7000000E-03  -1.050800    
 H    5.687100       1.079700      -1.877900    


%chk=000034462-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034462

0 1
O -2.404489 1.808993 -0.538218
O 3.230126 -1.806880 0.024701
N -1.406012 -2.289393 -0.213342
N 4.556500 0.051218 -0.394407
N 5.277423 -0.544609 -1.464876
C -1.932700 -0.907149 -0.128522
C -0.846073 0.129911 0.145483
C -2.417632 -3.316965 0.142032
C -0.732141 -2.556937 -1.516180
C -1.110202 1.516107 -0.065138
C 0.424653 -0.249063 0.617964
C 1.445693 0.702092 0.870542
C -0.107258 2.482034 0.189065
C 1.164880 2.068439 0.649063
C -2.793995 3.222904 -0.795622
C -2.664861 -3.418798 1.659770
C 0.345917 -3.654350 -1.423767
C 2.820982 0.242360 1.351082
C -3.155537 3.923488 0.526649
C -3.975253 3.137647 -1.768231
C 3.539382 -0.606578 0.289869
H -2.676368 -0.861485 0.690574
H -2.490595 -0.609268 -1.049248
H -2.043610 -4.292624 -0.218183
H -3.388374 -3.136940 -0.388432
H -1.481703 -2.816128 -2.306911
H -0.247481 -1.616965 -1.837744
H 0.604908 -1.318314 0.770166
H -0.297093 3.548510 0.038030
H 1.934375 2.826711 0.841768
H -1.943634 3.737412 -1.289814
H 2.719567 -0.401070 2.244101
H 3.437565 1.115224 1.636348
H -3.414063 -4.203039 1.878862
H -3.041971 -2.469014 2.081033
H -1.724331 -3.669716 2.180252
H 0.777886 -3.851448 -2.423562
H -0.068630 -4.607325 -1.046259
H 1.160603 -3.336704 -0.750442
H -3.430598 4.977815 0.338831
H -2.315219 3.907252 1.241512
H -4.017194 3.417744 0.997179
H -4.340364 4.150320 -2.017896
H -3.676150 2.629804 -2.700880
H -4.804157 2.567508 -1.313071
H 4.764763 1.035220 -0.220001
H 5.857004 -1.321186 -1.115358
H 4.623161 -0.888967 -2.183071


