%chk=000017599.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017599

0 1
 N    4.168000      0.8988000     -8.9999998E-04
 C   0.6317000     -0.1455000      5.0000002E-04
 C  -4.3499999E-02   1.067000      6.9999998E-04
 C  -0.2708000      -1.200100      3.9999999E-04
 C   -1.471600      0.7812000      6.0000003E-04
 C   -1.613600     -0.6365000      1.9999999E-04
 C    2.017900     -0.2844000       0.000000    
 C   0.6838000       2.242600      1.9999999E-04
 C    2.755000      0.9160000     -9.9999997E-05
 C   0.2089000      -2.496400      3.0000001E-04
 C    2.502000      -1.607100     -3.0000001E-04
 C   -2.576900       1.610400      3.0000001E-04
 C   -2.861200      -1.230300     -3.9999999E-04
 C    2.087800       2.160200     -9.9999997E-05
 C    1.601200      -2.694000       0.000000    
 C   -3.839200       1.009800     -6.0000003E-04
 C   -3.979500     -0.3917000     -8.9999998E-04
 H   0.1955000       3.211400      9.9999997E-05
 H  -0.4617000      -3.349300      3.0000001E-04
 H    3.567400      -1.819100     -6.0000003E-04
 H   -2.481100       2.690400      3.9999999E-04
 H   -2.981300      -2.308000     -6.0000003E-04
 H    2.662500       3.084500     -3.9999999E-04
 H    1.994200      -3.708100     -1.9999999E-04
 H   -4.729500       1.633600     -8.9999998E-04
 H   -4.975800     -0.8268000     -1.4000000E-03
 H    4.677300      2.6600000E-02   0.000000    
 H    4.678600       1.772100     -3.0000001E-04


%chk=000017599-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017599

0 1
N 4.213872 0.901606 -0.000036
C 0.635263 -0.134999 -0.000093
C -0.057550 1.116274 -0.000115
C -0.287206 -1.235774 -0.000131
C -1.500901 0.798013 -0.000148
C -1.643684 -0.642083 -0.000201
C 2.045171 -0.286698 -0.000081
C 0.715643 2.285821 -0.000132
C 2.823356 0.943198 -0.000027
C 0.223877 -2.538956 -0.000147
C 2.541757 -1.632476 -0.000138
C -2.645931 1.619331 -0.000157
C -2.921263 -1.233184 -0.000257
C 2.138831 2.187368 -0.000075
C 1.646502 -2.718349 -0.000152
C -3.927701 1.013719 -0.000236
C -4.066188 -0.397136 -0.000281
H 0.255496 3.280501 -0.000156
H -0.431164 -3.417202 -0.000196
H 3.618583 -1.844143 -0.000193
H -2.555539 2.711454 -0.000125
H -3.037323 -2.323100 -0.000274
H 2.732718 3.110174 -0.000065
H 2.049019 -3.737791 -0.000193
H -4.824654 1.643716 -0.000256
H -5.066968 -0.843276 -0.000331
H 4.716573 0.020039 0.000370
H 4.755507 1.761253 0.000125


