%chk=000028909.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028909

0 1
 S   0.4710000       1.682100     -0.3916000    
 N    3.994100     -0.2556000      0.1806000    
 N   -2.215400       1.568700     -0.3925000    
 N   -1.255200     -0.3616000      0.1482000    
 C    3.070000      0.8316000     -0.1278000    
 C    5.379100      0.2109000      0.1067000    
 C    3.786700      -1.380700     -0.7317000    
 C    1.633200      0.3386000     -9.6000005E-03
 C    5.615600       1.380100       1.047600    
 C    4.697500      -2.545600     -0.3830000    
 C   -1.045400      0.8902000     -0.1925000    
 C   -3.249100      0.6966000     -0.1655000    
 C   -2.623800     -0.5012000      0.1703000    
 C   -4.635000      0.8479000     -0.2232000    
 C   -3.412600      -1.625000      0.4692000    
 C   -5.404500     -0.2808000      7.7399999E-02
 C   -4.806200      -1.496200      0.4175000    
 H    3.258800       1.234700      -1.132100    
 H    3.178200       1.652600      0.5892000    
 H    6.068200     -0.5749000      0.4329000    
 H    5.661800      0.4973000     -0.9142000    
 H    2.781100      -1.797000     -0.6337000    
 H    3.930300      -1.094400      -1.781100    
 H    1.433100     -4.0199999E-02  0.9989000    
 H    1.394400     -0.4401000     -0.7363000    
 H    5.194600       2.316200      0.6679000    
 H    5.215200       1.186100       2.048600    
 H    6.693200       1.548500       1.156900    
 H    5.735300      -2.369500     -0.6822000    
 H    4.669600      -2.777500      0.6872000    
 H    4.368200      -3.443100     -0.9192000    
 H   -2.302000       2.540000     -0.6598000    
 H   -5.097000       1.792300     -0.4875000    
 H   -2.957300      -2.573800      0.7346000    
 H   -6.488900     -0.2098000      4.5200001E-02
 H   -5.430800      -2.356000      0.6458000    


%chk=000028909-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028909

0 1
S 0.497562 2.359796 1.397049
N 3.560996 -0.133411 0.028153
N -2.073131 1.734901 0.511377
N -0.630664 -0.036922 0.438472
C 2.583270 0.978816 -0.012443
C 4.804464 0.109546 -0.745479
C 2.933228 -1.459110 -0.236690
C 1.952797 1.129409 1.384531
C 5.738085 1.138627 -0.079234
C 3.650086 -2.615744 0.485583
C -0.774294 1.261586 0.742038
C -2.829972 0.653741 0.021460
C -1.908227 -0.448693 -0.017902
C -4.174789 0.532059 -0.377603
C -2.343197 -1.713307 -0.471418
C -4.590402 -0.741778 -0.828031
C -3.690197 -1.844602 -0.873806
H 1.779971 0.805874 -0.762784
H 3.094586 1.917854 -0.289024
H 5.341910 -0.853633 -0.820268
H 4.579475 0.427857 -1.795167
H 1.883283 -1.408154 0.106637
H 2.891783 -1.666500 -1.335357
H 2.670889 1.525716 2.119843
H 1.539012 0.173472 1.739632
H 5.260628 2.131790 0.009779
H 6.013114 0.800395 0.935024
H 6.661596 1.265187 -0.674792
H 4.702406 -2.717690 0.162234
H 3.645844 -2.442942 1.576016
H 3.141160 -3.575554 0.276675
H -2.400007 2.685552 0.674114
H -4.873543 1.374519 -0.345149
H -1.649480 -2.558950 -0.504375
H -5.628259 -0.883435 -1.148773
H -4.053982 -2.814872 -1.229124


