%chk=000139441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139441

0 1
 O    2.869600       2.405600      9.4999999E-02
 N   -1.360300      0.3286000      0.3986000    
 C    2.054500      -1.137000     -0.2149000    
 C   0.6376000      -1.066700      0.3972000    
 C   2.6000000E-03  0.3047000      0.3357000    
 C    2.906300      2.0300001E-02  0.3310000    
 C   -2.154600       1.368000     -0.2584000    
 C   -2.121300     -0.6221000       1.211000    
 C   -3.226400      0.7264000      -1.137300    
 C   -3.192200      -1.296800      0.3558000    
 C   -4.075400     -0.2652000     -0.3437000    
 C    2.707700      -2.474700      0.1775000    
 C    1.985800      -1.073700      -1.755500    
 C   0.7422000       1.419700      0.2219000    
 C    2.223700       1.362700      0.1860000    
 H   0.6901000      -1.369500       1.451900    
 H   4.6000001E-03  -1.801400     -0.1188000    
 H    3.866400      6.4300001E-02 -0.1975000    
 H    3.117800     -0.1193000       1.398400    
 H   -1.552500       2.018500     -0.9026000    
 H   -2.618900       2.006700      0.5029000    
 H   -2.600300     -7.4299999E-02   2.032700    
 H   -1.503900      -1.390700       1.685800    
 H   -2.747300      0.2010000      -1.973200    
 H   -3.868100       1.502600      -1.568600    
 H   -3.810700      -1.949500      0.9817000    
 H   -2.711600      -1.932000     -0.3988000    
 H   -4.669600      0.2759000      0.4028000    
 H   -4.780300     -0.7709000      -1.012600    
 H    2.120600      -3.324100     -0.1895000    
 H    2.790400      -2.573200       1.265800    
 H    3.717200      -2.559400     -0.2404000    
 H    1.395900      -1.906200      -2.155800    
 H    2.987700      -1.137800      -2.195500    
 H    1.529000     -0.1464000      -2.115300    
 H   0.3096000       2.413800      0.1930000    


%chk=000139441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000139441

0 1
O 2.834652 2.510839 -0.077755
N -1.378863 0.126457 0.109051
C 2.197099 -1.163586 -0.134133
C 0.752590 -1.129807 0.454146
C 0.015059 0.182546 0.194468
C 2.953640 0.105956 0.336305
C -2.158122 1.329036 -0.271991
C -2.158912 -0.875945 0.882035
C -3.471401 0.949934 -0.992821
C -3.451075 -1.296406 0.152723
C -4.310434 -0.056655 -0.177215
C 2.917141 -2.430901 0.390271
C 2.146600 -1.215392 -1.684581
C 0.740594 1.357918 0.021475
C 2.196853 1.412371 0.061340
H 0.813852 -1.311013 1.548248
H 0.184792 -1.974437 0.018589
H 3.948644 0.178552 -0.139910
H 3.128589 0.049704 1.431902
H -1.543429 1.944302 -0.947973
H -2.381827 1.942052 0.630888
H -2.431694 -0.434660 1.869216
H -1.531533 -1.756078 1.085079
H -3.222216 0.506485 -1.976587
H -4.045456 1.876128 -1.185133
H -4.010441 -2.004170 0.793791
H -3.187866 -1.827978 -0.782428
H -4.650805 0.418030 0.766339
H -5.217972 -0.347288 -0.738063
H 2.386443 -3.350980 0.077573
H 2.981076 -2.430335 1.495295
H 3.947407 -2.485705 -0.007828
H 1.616017 -2.123028 -2.030432
H 3.170645 -1.241594 -2.100730
H 1.633039 -0.333453 -2.105678
H 0.253219 2.327000 -0.119176


