%chk=000127404.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127404

0 1
 O  -0.3042000      0.9514000       1.177900    
 O    1.888300      0.9864000       2.940200    
 N    2.689400      0.6855000     -0.6625000    
 N   -1.531800      -1.358400      0.1588000    
 C    2.008600       1.439700       1.591400    
 C    2.500800      0.2941000      0.7089000    
 C    3.131500     -0.4160000      -1.533100    
 C   0.6597000       1.999600       1.151500    
 C    4.509600     -0.9102000      -1.102400    
 C    3.147700      5.7799999E-02  -2.982900    
 C   -1.341100       1.046700      0.2887000    
 C   -1.954300     -9.5100001E-02 -0.2192000    
 C   -1.774700       2.311300     -9.9699996E-02
 C   -3.009700      2.8700000E-02  -1.122800    
 C   -1.599400      -2.490800     -0.6202000    
 C  -0.9739000      -1.685300       1.373500    
 C   -2.830200       2.435000      -1.003200    
 C   -3.447600       1.293800      -1.514800    
 C   -1.082300      -3.542000      0.1042000    
 C  -0.6864000      -3.032300       1.365500    
 H    2.752000       2.246300       1.589800    
 H    3.437100     -6.0600001E-02   1.155400    
 H    1.804400     -0.5499000      0.7808000    
 H    2.414300      -1.243500      -1.463900    
 H    3.350900       1.459200     -0.7199000    
 H   0.7748000       2.436500      0.1517000    
 H   0.3374000       2.778100       1.853200    
 H    4.901500      -1.627900      -1.832300    
 H    5.231600     -8.8799998E-02  -1.031500    
 H    4.481000      -1.430200     -0.1400000    
 H    2.155700      0.4055000      -3.292300    
 H    3.437100     -0.7580000      -3.654000    
 H    3.855900      0.8810000      -3.129500    
 H    1.618600       1.746400       3.483600    
 H   -1.348300       3.227600      0.2970000    
 H   -3.532300     -0.8341000      -1.527000    
 H   -1.984700      -2.475600      -1.631300    
 H  -0.8759000     -0.9879000       2.193100    
 H   -3.177600       3.419800      -1.302000    
 H   -4.274000       1.390800      -2.212900    
 H  -0.9985000      -4.563200     -0.2399000    
 H  -0.2558000      -3.589200       2.185700    


%chk=000127404-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127404

0 1
O -0.125156 0.800426 0.623624
O 1.679613 0.901261 2.878176
N 3.298211 0.929408 -0.470175
N -1.714438 -1.493877 0.261399
C 1.995797 1.481765 1.562922
C 2.760220 0.384788 0.795943
C 3.470917 -0.041812 -1.587127
C 0.751327 1.964066 0.805828
C 4.491764 -1.172218 -1.282384
C 3.861911 0.732531 -2.861726
C -1.363340 0.972622 -0.001440
C -2.167330 -0.201911 -0.154798
C -1.833522 2.220320 -0.475576
C -3.439930 -0.070203 -0.761872
C -2.117211 -2.700896 -0.349708
C -0.886696 -1.807755 1.360321
C -3.097803 2.322465 -1.096603
C -3.904777 1.174472 -1.237502
C -1.546496 -3.760741 0.354145
C -0.776342 -3.196483 1.437056
H 2.654054 2.373428 1.684690
H 3.528419 -0.032003 1.482900
H 2.049719 -0.427286 0.563137
H 2.477171 -0.505390 -1.748450
H 4.163730 1.469516 -0.321167
H 1.071815 2.360052 -0.178348
H 0.216036 2.752924 1.377674
H 4.535899 -1.900439 -2.113791
H 5.506861 -0.751272 -1.142231
H 4.216612 -1.723638 -0.364957
H 3.107903 1.505711 -3.089595
H 3.945456 0.050911 -3.727102
H 4.842507 1.232538 -2.732537
H 1.102756 1.525612 3.387107
H -1.208721 3.112355 -0.375017
H -4.080633 -0.954085 -0.837270
H -2.723148 -2.699945 -1.252398
H -0.441995 -1.027052 1.969488
H -3.445787 3.295155 -1.459873
H -4.894094 1.243389 -1.700848
H -1.655709 -4.815993 0.107508
H -0.200368 -3.740516 2.184177


