%chk=000043083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043083

0 1
 O   -3.545300     -0.8059000      -1.846900    
 N   0.7908000     -0.1514000     -0.4619000    
 N    3.614300     -0.1133000     -3.1599998E-02
 N   -2.816500     -0.6674000      0.3483000    
 N    5.661400      -1.360600      1.2500000E-02
 N   -8.933400      0.9829000      0.9880000    
 C    1.371800     -0.8049000      0.7170000    
 C    1.579300       1.035900     -0.8141000    
 C    2.813500      -1.243500      0.4487000    
 C    3.027300      0.6580000      -1.134500    
 C  -0.6028000      0.2144000     -0.2114000    
 C   -1.430000      -1.034000      8.0899999E-02
 C    5.009300     -0.1582000      6.9899999E-02
 C    5.708000       1.046800      0.2293000    
 C    7.094300       1.018200      0.3314000    
 C   -3.756400     -0.5870000     -0.6569000    
 C    7.009400      -1.348800      0.1155000    
 C    7.765100     -0.1984000      0.2743000    
 C    7.859200       2.286600      0.5012000    
 C   -5.116800     -0.1750000     -0.2250000    
 C   -5.938200      0.4636000      -1.130400    
 C   -5.514900     -0.4438000       1.068300    
 C   -7.215200      0.8512000     -0.7246000    
 C   -6.791900     -5.6400001E-02   1.474200    
 C   -7.642200      0.5911000      0.5776000    
 H   0.8452000      -1.723400      0.9875000    
 H    1.344900     -0.1360000       1.587700    
 H    1.563800       1.769100      3.7000000E-03
 H    1.149700       1.523100      -1.698000    
 H    3.235200      -1.639900       1.380700    
 H    2.833700      -2.050100     -0.2954000    
 H    3.065800      5.7500001E-02  -2.052800    
 H    3.583700       1.581400      -1.331500    
 H  -0.6874000      0.9253000      0.6216000    
 H   -1.019000      0.7132000      -1.096100    
 H   -1.398300      -1.735800     -0.7600000    
 H   -1.120300      -1.557500      0.9876000    
 H    5.178900       1.994000      0.2919000    
 H   -3.035200     -0.3929000       1.299700    
 H    7.484300      -2.323100      6.5600000E-02
 H    8.845300     -0.2580000      0.3523000    
 H    8.882600       2.188200      0.1232000    
 H    7.389600       3.105100     -5.4900002E-02
 H    7.903700       2.559800       1.560200    
 H   -5.619100      0.6783000      -2.146000    
 H   -4.900400     -0.9775000       1.785600    
 H   -7.868000       1.356200      -1.432000    
 H   -7.116500     -0.2717000       2.489100    
 H   -9.550500       1.451800      0.3382000    
 H   -9.243700      0.7940000       1.931800    


%chk=000043083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043083

0 1
O -3.308169 0.452119 -1.709098
N 0.829081 -0.163416 -0.212160
N 3.711092 -0.192896 -0.124821
N -2.900799 -0.845310 0.170283
N 5.566020 -1.033489 1.055521
N -9.225735 0.709854 0.921205
C 1.548308 -0.995390 0.785321
C 1.607424 1.061531 -0.507748
C 2.936264 -1.392392 0.255935
C 3.004216 0.700005 -1.057450
C -0.579338 0.108856 0.150890
C -1.499616 -1.086502 -0.207069
C 5.066522 -0.085180 0.190601
C 5.909999 0.949164 -0.336848
C 7.262638 1.022196 0.049730
C -3.741619 -0.084552 -0.635091
C 6.875308 -0.949772 1.414944
C 7.760562 0.045530 0.958035
C 8.171094 2.112193 -0.488201
C -5.161450 0.075261 -0.181909
C -5.943211 1.082034 -0.809258
C -5.782980 -0.727674 0.812736
C -7.281034 1.299938 -0.449936
C -7.124511 -0.525076 1.181259
C -7.897667 0.499958 0.558959
H 0.967785 -1.915227 0.980983
H 1.666365 -0.450144 1.756782
H 1.737226 1.701367 0.402852
H 1.064919 1.651895 -1.268632
H 3.517023 -1.936631 1.015933
H 2.804972 -2.045285 -0.633627
H 2.882254 0.204084 -2.044676
H 3.571864 1.631738 -1.206017
H -0.694699 0.359864 1.235873
H -0.936801 0.977749 -0.429512
H -1.451113 -1.239330 -1.298043
H -1.157319 -2.011926 0.290895
H 5.527897 1.682867 -1.052067
H -3.225715 -1.159297 1.084054
H 7.220890 -1.729648 2.104844
H 8.804851 0.056384 1.286074
H 9.087525 1.682300 -0.933096
H 7.668342 2.719362 -1.260541
H 8.492676 2.793108 0.322627
H -5.465717 1.681828 -1.591279
H -5.239100 -1.552047 1.290960
H -7.861857 2.087064 -0.946222
H -7.586019 -1.165061 1.943200
H -9.780876 1.429253 0.466957
H -9.669674 0.139944 1.635348


