%chk=000058003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058003

0 1
 O    3.601800       1.319500     -0.1149000    
 N    1.620000      0.2295000      0.4069000    
 C   -1.982400      0.6632000     -0.3792000    
 C   -1.439800      0.3009000       1.009000    
 C  -0.8463000      0.7518000      -1.405700    
 C   0.7851000       1.408800      0.4352000    
 C  -0.3434000       1.267100       1.460400    
 C   0.2425000       1.728700     -0.9599000    
 C   -3.035600     -0.3485000     -0.8271000    
 C   -4.230500     -0.3595000      0.1216000    
 C   -5.296000      -1.349900     -0.3479000    
 C    2.977100      0.2908000      0.1296000    
 C    3.617200      -1.085400      0.1653000    
 C   -6.506100      -1.344100      0.5725000    
 C    5.112000      -1.040900     -0.1373000    
 C    5.724500      -2.431900     -0.1286000    
 H   -2.455600       1.653100     -0.3159000    
 H   -1.053100     -0.7255000       1.008400    
 H   -2.228600      0.3430000       1.766400    
 H   -1.243800       1.077600      -2.374400    
 H  -0.4052000     -0.2404000      -1.564100    
 H    1.420700       2.246300      0.7498000    
 H  -0.7949000       2.253700       1.627500    
 H   5.8600001E-02  0.9358000       2.425600    
 H    1.052300       1.730500      -1.699200    
 H  -0.1791000       2.742100     -0.9525000    
 H   -2.597200      -1.352800     -0.8848000    
 H   -3.379300     -9.3800001E-02  -1.837600    
 H   -3.931100     -0.6554000       1.131600    
 H   -4.663700      0.6458000      0.1873000    
 H    1.184100     -0.6786000      0.5389000    
 H   -4.875200      -2.361500     -0.3843000    
 H   -5.619100      -1.095900      -1.364200    
 H    3.448400      -1.517400       1.158900    
 H    3.105300      -1.718700     -0.5693000    
 H   -6.970000     -0.3531000      0.6050000    
 H   -6.225200      -1.625900       1.592300    
 H   -7.255700      -2.058300      0.2174000    
 H    5.624400     -0.4140000      0.6022000    
 H    5.282300     -0.5784000      -1.116900    
 H    5.601000      -2.908700      0.8489000    
 H    5.257200      -3.071100     -0.8845000    
 H    6.795600      -2.375900     -0.3464000    


%chk=000058003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058003

0 1
O 3.518169 1.251034 -0.722623
N 1.683361 0.199733 0.236876
C -1.997878 0.647621 -0.323461
C -1.337293 0.304473 1.037993
C -0.910885 0.743934 -1.426293
C 0.863908 1.433284 0.301175
C -0.209048 1.301586 1.407050
C 0.202413 1.753063 -1.066922
C -3.105783 -0.361766 -0.718583
C -4.336388 -0.380324 0.217003
C -5.460712 -1.315229 -0.286236
C 2.966770 0.193386 -0.280732
C 3.681299 -1.163702 -0.287404
C -6.689538 -1.339170 0.648097
C 5.121118 -1.056821 0.271891
C 5.916109 -2.368226 0.106158
H -2.468044 1.652432 -0.223886
H -0.942022 -0.734693 0.986991
H -2.093147 0.302392 1.845775
H -1.379516 1.031094 -2.388130
H -0.462780 -0.260094 -1.582802
H 1.565372 2.252578 0.546586
H -0.658201 2.302506 1.560569
H 0.268522 1.014379 2.364215
H 0.986373 1.776935 -1.845058
H -0.228097 2.773765 -1.008850
H -2.666234 -1.381314 -0.769317
H -3.448488 -0.122977 -1.747686
H -4.038334 -0.698383 1.236581
H -4.737084 0.650704 0.315739
H 1.279686 -0.675046 0.575567
H -5.057404 -2.342903 -0.395811
H -5.772139 -0.994836 -1.301575
H 3.105424 -1.926844 0.273604
H 3.736535 -1.508369 -1.339827
H -7.127917 -0.328581 0.752098
H -6.411617 -1.688968 1.660445
H -7.478472 -2.011525 0.263585
H 5.078179 -0.773458 1.341983
H 5.628410 -0.226803 -0.252758
H 5.425709 -3.209219 0.632766
H 6.003936 -2.645683 -0.961571
H 6.938930 -2.267361 0.512778


