%chk=000074998.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074998

1 1
 I   -4.555800      -3.399000       1.177000    
 O    1.397300       2.364700      2.1600001E-02
 O   0.1699000      -3.096000       2.695600    
 O   -4.577900     -0.2207000      0.4838000    
 O  -0.3249000     -0.9248000       2.240000    
 N   -3.000400       4.231700      6.8999999E-03
 N   -2.506100     -0.5022000     -0.5961000    
 N    5.842700      0.6986000      6.3699998E-02
 C   0.4465000     -0.3061000     -0.3936000    
 C  -0.4714000      0.8577000     -0.2926000    
 C    1.782000     -6.8300001E-02 -0.2818000    
 C   5.2999999E-02   2.134000     -9.0200000E-02
 C    2.282800       1.300200     -6.8300001E-02
 C   -1.866300      0.7256000     -0.3939000    
 C   1.4500000E-02  -1.692800     -0.6062000    
 C   -2.158600       3.105800     -9.3199998E-02
 C  -0.7789000       3.253800      9.7000003E-03
 C   -2.702500       1.841300     -0.2950000    
 C    2.778500      -1.146400     -0.3668000    
 C    3.595000       1.556600      4.4599999E-02
 C    4.585800      0.4591000     -4.3499999E-02
 C    4.094100     -0.9193000     -0.2583000    
 C  -0.2682000      -2.529500      0.4664000    
 C  -0.1051000      -2.149100      -1.913800    
 C  -0.6763000      -3.842000      0.2286000    
 C  -0.5131000      -3.461600      -2.151600    
 C   -4.267900       4.266500     -0.6961000    
 C   -2.617000       5.365500      0.8255000    
 C  -0.7988000      -4.308100      -1.080500    
 C   -3.780600     -0.8916000     -0.1669000    
 C    6.355200       2.076100      0.2797000    
 C    6.850500     -0.3894000     -2.2399999E-02
 C  -0.1536000      -2.081900       1.849600    
 C   -4.124300      -2.308000     -0.5817000    
 H  -0.3231000       4.229700      0.1558000    
 H   -3.776000       1.745800     -0.4125000    
 H    2.472000      -2.174900     -0.5221000    
 H    3.910200       2.581800      0.2010000    
 H    4.771000      -1.761700     -0.3306000    
 H   0.1121000      -1.502100      -2.760100    
 H   -2.009500      -1.204900      -1.110400    
 H  -0.9183000      -4.524300       1.039200    
 H  -0.6103000      -3.823900      -3.170800    
 H   -5.031600       3.704700     -0.1481000    
 H   -4.177400       3.858000      -1.709100    
 H   -4.630400       5.295100     -0.8041000    
 H   -2.180300       5.043200       1.777500    
 H   -3.485300       5.986900       1.071600    
 H   -1.897500       5.999700      0.2971000    
 H   -1.120500      -5.328700      -1.266000    
 H    7.446700       2.062100      0.3436000    
 H    5.958800       2.459500       1.224300    
 H    6.066800       2.700700     -0.5706000    
 H    6.674500      -1.102600      0.7880000    
 H    7.856300      2.3700001E-02  9.2900001E-02
 H    6.781300     -0.8617000      -1.006600    
 H   -3.323700      -2.778400      -1.154200    
 H   -4.999100      -2.256500      -1.238800    
 H   0.2448000      -2.787300       3.623700    


%chk=000074998-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074998

1 1
I -4.310914 -3.211805 1.465794
O 1.379142 2.306559 0.058730
O -0.096830 -3.464383 2.678393
O -4.945185 0.092550 -0.522549
O 0.065134 -1.187519 2.251942
N -2.960914 4.320952 -0.034154
N -2.666903 -0.524029 -0.397247
N 5.942885 0.772314 0.158730
C 0.358776 -0.326028 -0.325795
C -0.550328 0.772032 -0.243392
C 1.771724 -0.091316 -0.236745
C -0.003095 2.104629 -0.060668
C 2.269792 1.236170 -0.020718
C -2.016666 0.726889 -0.295355
C -0.048298 -1.747649 -0.622735
C -2.174341 3.193136 -0.087566
C -0.750626 3.272095 0.011649
C -2.777843 1.898205 -0.233735
C 2.769693 -1.120238 -0.332187
C 3.621283 1.548493 0.110065
C 4.597377 0.505030 0.025720
C 4.124313 -0.844062 -0.208569
C -0.185716 -2.748470 0.390697
C -0.188478 -2.131470 -1.982073
C -0.471263 -4.091193 0.029867
C -0.476630 -3.470487 -2.332719
C -4.434441 4.217717 -0.127562
C -2.343800 5.651655 0.139664
C -0.617164 -4.453457 -1.325009
C -4.041670 -0.790483 -0.481457
C 6.404316 2.154041 0.401631
C 6.943324 -0.311371 0.058308
C -0.058747 -2.362664 1.828142
C -4.380945 -2.272881 -0.544235
H -0.219610 4.214678 0.147843
H -3.860389 1.792498 -0.288023
H 2.454607 -2.152711 -0.507881
H 3.895930 2.591522 0.273999
H 4.839726 -1.665108 -0.289175
H -0.066513 -1.375048 -2.764219
H -2.061935 -1.349167 -0.380535
H -0.578861 -4.833114 0.825008
H -0.580758 -3.743368 -3.387882
H -4.851828 3.632454 0.712436
H -4.743146 3.739620 -1.074741
H -4.869920 5.226523 -0.094506
H -1.798375 5.720120 1.099852
H -3.128912 6.420884 0.137307
H -1.640984 5.877134 -0.684100
H -0.836020 -5.491620 -1.593143
H 7.499640 2.163297 0.493989
H 5.978148 2.559610 1.338624
H 6.124586 2.824039 -0.433495
H 6.788862 -1.078450 0.839968
H 7.948822 0.111704 0.194071
H 6.911295 -0.801032 -0.932894
H -3.687956 -2.862764 -1.164772
H -5.419026 -2.395017 -0.876909
H -0.032747 -3.165344 3.625218


