%chk=000029192.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029192

1 1
 O   -1.649400      0.4146000     -0.6331000    
 O   -2.503800     -2.2100000E-02   1.484900    
 N   0.8151000       1.688800     -0.2293000    
 N   -3.913000      0.4925000     -0.2847000    
 C   0.6878000      0.1640000     -0.1883000    
 C    1.817900     -0.5467000      5.2099999E-02
 C    3.160900      6.8400003E-02  0.2748000    
 C    1.792300       2.069800      -1.337800    
 C    1.315800       2.176400       1.127400    
 C  -0.5203000       2.372200     -0.5166000    
 C  -0.5486000     -0.3555000     -0.3956000    
 C    1.698500      -1.936000      8.9400001E-02
 C  -0.6678000      -1.744800     -0.3584000    
 C    4.181100     -0.3453000     -0.8015000    
 C    3.722000     -0.2389000       1.675000    
 C   0.4558000      -2.535000     -0.1157000    
 C   -1.989400      -2.405400     -0.5749000    
 C   -2.686600      0.2682000      0.3063000    
 C   -5.168200      0.4148000      0.4259000    
 H    3.211500       1.137800      0.2363000    
 H    1.313500       2.825000      -1.973400    
 H    2.696600       2.548800     -0.9553000    
 H    2.001600       1.216400      -1.988300    
 H    2.328600       2.582600       1.087600    
 H   0.6840000       3.015100       1.445100    
 H    1.202000       1.396400       1.886000    
 H   -1.198100       2.288500      0.3373000    
 H  -0.2959000       3.449600     -0.5553000    
 H  -0.8766000       2.147100      -1.528600    
 H    2.558300      -2.573400      0.2769000    
 H    4.409800      -1.415700     -0.7548000    
 H    5.125000      0.1946000     -0.6644000    
 H    3.817100     -0.1295000      -1.810800    
 H    3.025200      6.3800000E-02   2.463100    
 H    4.664100      0.2966000       1.838400    
 H    3.927800      -1.306900       1.806600    
 H   0.3778000      -3.618500     -8.1200004E-02
 H   -2.568700      -2.443800      0.3521000    
 H   -2.568000      -1.913100      -1.363100    
 H   -1.851600      -3.439500     -0.9130000    
 H   -3.934300      0.7179000      -1.274500    
 H   -5.746000     -0.4124000      6.3999998E-03
 H   -5.708800       1.350900      0.2674000    
 H   -5.011100      0.2522000       1.494700    


%chk=000029192-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029192

1 1
O -1.844255 0.072542 -0.790916
O -1.978528 0.736918 1.486194
N 0.667242 1.742560 -0.402621
N -3.897959 0.387886 0.160652
C 0.640775 0.197617 -0.364726
C 1.850563 -0.518665 -0.072656
C 3.205670 0.032493 0.441835
C 1.780349 2.209876 -1.364413
C 0.838040 2.294005 1.027914
C -0.588274 2.443161 -0.964865
C -0.562045 -0.533049 -0.615340
C 1.803127 -1.931868 -0.193653
C -0.576887 -1.947394 -0.728205
C 4.383173 -0.326585 -0.506519
C 3.476734 -0.486042 1.884036
C 0.640544 -2.632783 -0.542728
C -1.867652 -2.687178 -1.012424
C -2.565759 0.414926 0.424355
C -4.912956 0.786008 1.151521
H 3.193430 1.132199 0.520809
H 1.432670 2.023078 -2.391473
H 1.939672 3.288085 -1.207274
H 2.710456 1.665326 -1.195950
H 1.793305 1.965404 1.450538
H 0.803911 3.394275 0.980709
H -0.000679 1.899071 1.622013
H -1.383160 2.436578 -0.213020
H -0.292492 3.483817 -1.172588
H -0.913407 1.946485 -1.886412
H 2.717440 -2.499052 0.002043
H 4.541108 -1.417210 -0.564627
H 5.319464 0.121792 -0.129809
H 4.217903 0.035645 -1.538522
H 2.656576 -0.220951 2.575772
H 4.413596 -0.046877 2.271283
H 3.588429 -1.583701 1.907267
H 0.665319 -3.723054 -0.635822
H -2.567478 -2.622909 -0.158053
H -2.388175 -2.271144 -1.892371
H -1.668080 -3.754608 -1.198359
H -4.190320 0.058812 -0.761741
H -5.572904 -0.064108 1.395721
H -5.525313 1.620241 0.767838
H -4.399274 1.108880 2.069687


