%chk=000044961.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044961

0 1
 O    1.824500     -2.3800001E-02  0.8038000    
 O    2.158400     -0.1634000      -1.482700    
 N   -3.639700     -0.3381000     -0.1910000    
 N    3.985300      8.5000005E-03 -5.3599998E-02
 C   -2.253400     -0.2441000      6.0600001E-02
 C   -1.618600      0.9973000      0.1046000    
 C   -1.518000      -1.411200      0.2665000    
 C  -0.2482000       1.071400      0.3544000    
 C   0.4503000     -9.7800002E-02  0.5536000    
 C  -0.1476000      -1.337000      0.5163000    
 C   -2.381900       2.263300     -0.1125000    
 C   -4.586200     -0.3140000      0.9052000    
 C   -4.131500     -0.4458000      -1.549300    
 C    2.619000     -6.7900002E-02 -0.3456000    
 C    4.966200     -2.3000000E-02  -1.129000    
 C    4.521200      0.1253000       1.298700    
 H   -2.001300      -2.384300      0.2347000    
 H   0.2620000       2.029400      0.3935000    
 H   0.4252000      -2.244800      0.6772000    
 H   -1.719000       3.135600     -0.1345000    
 H   -2.910800       2.244100      -1.070400    
 H   -3.100100       2.422800      0.6975000    
 H   -4.252800     -0.9587000       1.725900    
 H   -5.572100     -0.6729000      0.5904000    
 H   -4.705500      0.7032000       1.290700    
 H   -4.120000      -1.492300      -1.870800    
 H   -3.517400      0.1335000      -2.247300    
 H   -5.158400     -7.4000001E-02  -1.632000    
 H    5.629000     -0.8797000     -0.9761000    
 H    5.549700      0.9019000      -1.100500    
 H    4.489800     -0.1125000      -2.108400    
 H    5.099200       1.051700       1.365700    
 H    5.178600     -0.7283000       1.488200    
 H    3.739200      0.1429000       2.060100    


%chk=000044961-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044961

0 1
O 1.879946 -0.412312 0.268134
O 2.517572 1.452905 -1.054466
N -3.785014 -0.186255 -0.282208
N 4.097496 0.155196 0.098041
C -2.357614 -0.209539 -0.149517
C -1.603118 1.010504 -0.201011
C -1.654712 -1.442097 -0.026537
C -0.194398 0.962540 -0.074412
C 0.472233 -0.273608 0.061262
C -0.250370 -1.481682 0.070005
C -2.269174 2.349616 -0.463210
C -4.562259 0.492621 0.775814
C -4.446294 -1.405778 -0.772311
C 2.817526 0.491644 -0.299507
C 5.221180 0.960979 -0.402794
C 4.431065 -0.977033 0.974863
H -2.211022 -2.383912 0.006455
H 0.383045 1.887051 -0.140728
H 0.285899 -2.430670 0.166851
H -1.580007 3.024013 -0.999778
H -3.180076 2.212422 -1.072700
H -2.566987 2.867320 0.470542
H -4.062235 1.418917 1.093183
H -4.690439 -0.151381 1.677765
H -5.566722 0.755041 0.394446
H -4.534477 -2.210775 -0.002773
H -3.897916 -1.811305 -1.638906
H -5.470062 -1.148600 -1.101204
H 5.921440 0.330297 -0.984059
H 5.775732 1.418669 0.439141
H 4.827524 1.756428 -1.052496
H 4.993323 -0.620225 1.859774
H 5.062046 -1.710973 0.435614
H 3.511966 -1.472718 1.310628


