%chk=000049397.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049397

0 1
 N   -2.443600       1.254000      0.8411000    
 C   -2.092500      0.7476000     -0.4916000    
 C  -0.6132000       1.021600     -0.7561000    
 C   0.2706000      0.3599000      0.3125000    
 C   -2.963000       1.405700      -1.570900    
 C   -4.448200       1.211400      -1.278000    
 C   6.7400001E-02  -1.144600      0.3729000    
 C    1.702700      0.8838000      0.2610000    
 C   -4.777900       1.662700      0.1407000    
 C   -3.849900       1.005800       1.159600    
 C   0.5824000      -2.026800     -0.5901000    
 C    2.792600      0.2939000     -0.4098000    
 C    1.460400      -1.535100      -1.705000    
 C    2.785800      -1.013500      -1.170400    
 C  -0.7199000      -1.674300       1.415500    
 C    1.922600       2.110700      0.9374000    
 C   0.3066000      -3.402700     -0.4929000    
 C    4.055800      0.9303000     -0.3418000    
 C  -0.9846000      -3.040900       1.503400    
 C    3.172500       2.726000      0.9776000    
 C  -0.4719000      -3.906300      0.5467000    
 C    4.245200       2.130800      0.3382000    
 H   -2.282300     -0.3317000     -0.5331000    
 H  -0.4404000       2.107300     -0.7609000    
 H  -0.3571000      0.6854000      -1.764600    
 H  -7.5999998E-02  0.7164000       1.293400    
 H   -2.729100      0.9806000      -2.554300    
 H   -2.745700       2.480500      -1.629800    
 H   -4.708400      0.1522000      -1.394900    
 H   -5.050600       1.772700      -2.000700    
 H   -2.265700       2.258000      0.8772000    
 H   -4.685100       2.754100      0.2076000    
 H   -5.819500       1.415700      0.3747000    
 H   -4.063000       1.403100       2.158000    
 H   -4.035800     -7.4100003E-02   1.205600    
 H    1.675100      -2.366800      -2.389300    
 H   0.9488000     -0.7907000      -2.318700    
 H    3.442400     -0.8942000      -2.043700    
 H    3.251700      -1.774700     -0.5296000    
 H   -1.137900      -1.022200       2.179100    
 H    1.098000       2.605500       1.448900    
 H   0.7064000      -4.096600      -1.228900    
 H    4.916700      0.4789000     -0.8332000    
 H   -1.592300      -3.425400       2.317100    
 H    3.301800       3.663900       1.508800    
 H  -0.6743000      -4.971200      0.6091000    
 H    5.226600       2.594100      0.3653000    


%chk=000049397-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049397

0 1
N -2.432274 1.510782 0.852201
C -2.149741 0.773980 -0.416038
C -0.647415 0.882181 -0.754247
C 0.273686 0.227332 0.339965
C -3.049042 1.254702 -1.589113
C -4.547434 1.184531 -1.199405
C 0.121786 -1.294215 0.346405
C 1.692219 0.826718 0.295826
C -4.821766 1.951166 0.117737
C -3.867484 1.458264 1.238384
C 0.663839 -2.134322 -0.669188
C 2.838144 0.303984 -0.377843
C 1.585648 -1.570184 -1.737144
C 2.903391 -1.024243 -1.134930
C -0.664317 -1.883130 1.369837
C 1.831967 2.062211 0.993033
C 0.399618 -3.525916 -0.632298
C 4.054316 1.043181 -0.326487
C -0.920351 -3.272330 1.401989
C 3.041693 2.780608 1.037319
C -0.388415 -4.101290 0.390002
C 4.172479 2.263151 0.365738
H -2.393341 -0.290730 -0.217831
H -0.374673 1.953913 -0.848837
H -0.470674 0.423742 -1.744780
H -0.168760 0.580232 1.291541
H -2.858521 0.634402 -2.487795
H -2.777097 2.299651 -1.851113
H -4.836427 0.121072 -1.066586
H -5.175856 1.585748 -2.017515
H -2.119424 2.492226 0.761595
H -4.662726 3.037683 -0.044487
H -5.876711 1.818918 0.430128
H -4.005204 2.050708 2.162137
H -4.108336 0.404625 1.485130
H 1.836975 -2.372361 -2.456217
H 1.096924 -0.765748 -2.318705
H 3.641366 -0.908335 -1.952682
H 3.315376 -1.801291 -0.458051
H -1.084210 -1.234182 2.148355
H 0.956409 2.458181 1.523904
H 0.824517 -4.166616 -1.415496
H 4.930705 0.638071 -0.849243
H -1.528217 -3.700137 2.207270
H 3.103785 3.724150 1.591106
H -0.579755 -5.180370 0.397686
H 5.127530 2.800089 0.381844


