%chk=000022778.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022778

0 1
 N   0.2287000      0.1449000     -0.5191000    
 N  -0.4119000      0.1440000      0.5576000    
 C    1.607600      8.2400002E-02 -0.2554000    
 C    2.240300      -1.155100     -0.1553000    
 C    2.338000       1.258200     -9.4200000E-02
 C    3.608800      -1.217200      0.1074000    
 C    3.706500       1.196000      0.1683000    
 C    4.341900     -4.1700002E-02  0.2692000    
 C   -2.535400     -0.9588000      0.1323000    
 C   -1.786000      0.2065000      0.2953000    
 C    1.478400      -2.429000     -0.3256000    
 C    1.681800       2.596400     -0.1985000    
 C   -3.903400     -0.8775000     -0.1275000    
 C   -2.404900       1.452900      0.1983000    
 C   -1.895300      -2.304800      0.2329000    
 C   -4.522200      0.3689000     -0.2244000    
 C   -3.773000       1.534000     -6.1400000E-02
 H    4.118300      -2.173500      0.1909000    
 H    4.292300       2.102100      0.2983000    
 H    5.407300     -9.0099998E-02  0.4744000    
 H   0.8025000      -2.370800      -1.183100    
 H   0.9288000      -2.663600      0.5881000    
 H    2.153500      -3.268800     -0.5272000    
 H    1.016200       2.761400      0.6547000    
 H    2.416400       3.409000     -0.2088000    
 H    1.106100       2.675100      -1.126800    
 H   -4.500900      -1.775900     -0.2588000    
 H   -1.830600       2.367100      0.3245000    
 H   -1.366600      -2.540400     -0.6929000    
 H   -1.219500      -2.354600       1.091000    
 H   -2.645800      -3.088000      0.3906000    
 H   -5.587300      0.4324000     -0.4271000    
 H   -4.254800       2.504500     -0.1368000    


%chk=000022778-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022778

0 1
N 0.369725 -0.325774 -0.615933
N -0.525623 -0.023732 0.292842
C 1.745330 -0.191469 -0.268181
C 2.624061 -0.548032 -1.353482
C 2.285686 0.242747 0.997358
C 4.019998 -0.466347 -1.164698
C 3.694249 0.305189 1.130633
C 4.557619 -0.042116 0.070272
C -2.886922 0.136169 0.827354
C -1.885189 -0.187892 -0.142502
C 2.071026 -1.007425 -2.690336
C 1.439613 0.634712 2.191051
C -4.246080 -0.006660 0.453698
C -2.255380 -0.639988 -1.441127
C -2.512748 0.618569 2.215592
C -4.612944 -0.454851 -0.834752
C -3.611151 -0.772953 -1.785968
H 4.688271 -0.736975 -1.989815
H 4.116051 0.633752 2.087875
H 5.643385 0.017239 0.206187
H 1.425508 -0.235356 -3.144387
H 1.443291 -1.908482 -2.576625
H 2.893623 -1.236050 -3.390220
H 0.778275 -0.191575 2.506973
H 2.086786 0.928095 3.036866
H 0.756447 1.467510 1.947592
H -5.025298 0.237454 1.185209
H -1.457167 -0.876678 -2.151225
H -1.890187 -0.125931 2.743591
H -1.913190 1.545468 2.169401
H -3.415040 0.814108 2.820275
H -5.672224 -0.555872 -1.096835
H -3.894003 -1.120855 -2.785784


