%chk=000058946.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058946

0 1
 O    3.204800       2.241400      0.1432000    
 N   -3.749400      0.7702000      0.1566000    
 N   0.9510000      -2.743600     -0.2166000    
 C   -2.539300      0.1202000     -0.3550000    
 C   -1.679500     -0.4316000      0.8151000    
 C  -0.4502000      -1.136200      0.3997000    
 C   0.8337000     -0.5554000      0.2018000    
 C   -1.771800       1.133100      -1.204900    
 C    1.694400      -1.585200     -0.1844000    
 C  -0.3461000      -2.482300      0.1347000    
 C    1.347900      0.7517000      0.3145000    
 C   -4.518100     -0.1624000      0.9778000    
 C   -4.562400       1.272100     -0.9491000    
 C    3.048800      -1.372500     -0.4646000    
 C    2.700700      0.9794000      3.7400000E-02
 C    3.536300     -6.7800000E-02 -0.3461000    
 C    2.299200       3.269000      0.5397000    
 H   -2.806800     -0.7250000      -1.006000    
 H   -2.249700      -1.153500       1.411400    
 H   -1.423000      0.3875000       1.500400    
 H  -0.8359000      0.7100000      -1.580100    
 H   -1.529700       2.039600     -0.6390000    
 H   -2.310600       1.423800      -2.112300    
 H   -1.077200      -3.278300      0.1634000    
 H    1.311600      -3.654600     -0.4643000    
 H   0.6583000       1.527500      0.6226000    
 H   -4.051500     -0.3297000       1.953400    
 H   -4.685700      -1.124700      0.4804000    
 H   -5.502700      0.2581000       1.217700    
 H   -5.540300       1.609400     -0.5832000    
 H   -4.745900      0.5125000      -1.717900    
 H   -4.126300       2.163100      -1.411300    
 H    3.700000      -2.187100     -0.7633000    
 H    4.585300      0.1253000     -0.5584000    
 H    2.866600       4.205000      0.5704000    
 H    1.912600       3.098200       1.550200    
 H    1.498300       3.406700     -0.1948000    


%chk=000058946-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058946

0 1
O 3.502020 2.232777 0.214557
N -3.935320 0.615927 0.152748
N 0.961502 -2.723118 -0.236965
C -2.654532 0.045345 -0.374937
C -1.681444 -0.267227 0.810056
C -0.437633 -1.022467 0.401561
C 0.901648 -0.485923 0.219414
C -1.964767 0.996134 -1.374842
C 1.756389 -1.570982 -0.178585
C -0.354355 -2.388944 0.113774
C 1.449239 0.820630 0.364191
C -4.738053 -0.380891 0.897361
C -4.779653 1.278738 -0.867222
C 3.134493 -1.384796 -0.433330
C 2.823634 0.998928 0.110193
C 3.659986 -0.091359 -0.285732
C 2.711335 3.392746 0.618302
H -2.859697 -0.924120 -0.905468
H -2.220881 -0.847477 1.580195
H -1.414707 0.698084 1.280668
H -0.966648 0.600408 -1.626850
H -1.836949 1.998980 -0.924890
H -2.530882 1.101885 -2.316130
H -1.135231 -3.147454 0.142789
H 1.288124 -3.653545 -0.485795
H 0.806494 1.652714 0.666363
H -4.185166 -0.765058 1.770153
H -5.040403 -1.257024 0.266532
H -5.658055 0.099360 1.275502
H -5.688878 1.669631 -0.375383
H -5.105998 0.595870 -1.693745
H -4.251914 2.134333 -1.316713
H 3.783554 -2.213961 -0.736088
H 4.718813 0.115012 -0.468151
H 3.419308 4.234801 0.639640
H 2.269817 3.251399 1.625166
H 1.902211 3.604543 -0.109239


