%chk=000041099.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041099

0 1
 O   -2.212400       1.448500      -1.580900    
 O   -4.423800      -2.510100     -0.8282000    
 N   -4.534400      0.3099000      4.5299999E-02
 N   -5.157300     -0.8262000      0.6424000    
 C   -3.074600      2.7300000E-02  5.6200001E-02
 C   -2.215800       1.275600     -0.2681000    
 C  -0.7518000       1.091900      0.2188000    
 C   0.1400000       2.344100      0.1266000    
 C    1.555100       2.205700      0.6969000    
 C    2.400200       1.149000     -1.7400000E-02
 C    3.829000       1.120500      0.5300000    
 C   -4.878500       1.511200      0.9088000    
 C   -5.072800      0.4197000      -1.370800    
 C    4.667900      4.3499999E-02 -0.1600000    
 C    6.105600      3.6699999E-02  0.3648000    
 C    6.933900      -1.062900     -0.3033000    
 C   -5.046500      -2.123000      0.1556000    
 C    8.374000      -1.133300      0.2091000    
 C   -5.832100      -3.086500       1.007000    
 C    9.194400      -2.241500     -0.4328000    
 H   -2.823700     -0.3120000       1.072300    
 H   -2.837100     -0.7980000     -0.6274000    
 H   -2.559500       2.093100      0.3759000    
 H  -0.2797000      0.2647000     -0.3291000    
 H  -0.7726000      0.7803000       1.272300    
 H  -0.3578000       3.164900      0.6583000    
 H   0.2212000       2.659700     -0.9208000    
 H    1.490700       1.962800       1.764600    
 H    2.053900       3.180000      0.6234000    
 H    1.949200      0.1589000      0.1120000    
 H    2.422200       1.359800      -1.093300    
 H    3.806000      0.9310000       1.610100    
 H    4.297200       2.101500      0.3836000    
 H   -5.964300       1.526400       1.056900    
 H   -4.598600       2.428700      0.3846000    
 H   -4.367300       1.421500       1.872500    
 H   -4.854600       1.420000      -1.754200    
 H   -6.161300      0.2983000      -1.335600    
 H   -4.624100     -0.3418000      -2.013900    
 H    4.210000     -0.9392000      6.0000001E-03
 H    4.674500      0.2187000      -1.242700    
 H   -5.699000     -0.6205000       1.477000    
 H    6.100300     -0.1192000       1.450300    
 H    6.572300       1.011600      0.1797000    
 H    6.946500     -0.8990000      -1.388000    
 H    6.448700      -2.032700     -0.1358000    
 H    8.365600      -1.285100       1.295100    
 H    8.871000     -0.1731000      2.6600000E-02
 H   -6.897400      -2.846300      0.9485000    
 H   -5.677000      -4.108000      0.6488000    
 H   -5.499500      -3.023600       2.047200    
 H    8.747500      -3.221300     -0.2367000    
 H    10.21210      -2.243800     -3.0200001E-02
 H    9.256300      -2.102900      -1.516800    


%chk=000041099-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041099

0 1
O -2.256300 1.828212 -0.945112
O -4.153736 -2.747054 0.370288
N -4.355371 0.103938 -0.241726
N -5.414987 -0.775932 0.283560
C -3.133764 0.174783 0.728267
C -2.240308 1.458357 0.411975
C -0.815787 1.142275 0.957890
C 0.081352 2.395462 0.878487
C 1.552252 2.165207 1.301643
C 2.338509 1.205240 0.377802
C 3.833374 1.090418 0.752182
C -4.957737 1.503926 -0.413254
C -3.855085 -0.375472 -1.613848
C 4.616503 0.106475 -0.146124
C 6.112463 -0.009237 0.224297
C 6.889879 -1.004723 -0.666230
C -5.240082 -2.135187 0.560112
C 8.386010 -1.122048 -0.295561
C -6.492533 -2.805367 1.115105
C 9.152752 -2.122970 -1.187128
H -3.558074 0.198303 1.748917
H -2.592748 -0.771704 0.568239
H -2.657790 2.269136 1.084901
H -0.390761 0.332352 0.331547
H -0.859558 0.774824 2.009162
H -0.360099 3.187208 1.520441
H 0.030172 2.769922 -0.161946
H 1.585515 1.776093 2.342279
H 2.076416 3.144103 1.319705
H 1.880811 0.195724 0.408053
H 2.245020 1.555902 -0.671159
H 3.922049 0.768434 1.811641
H 4.303926 2.094797 0.694025
H -5.814879 1.432929 -1.103371
H -4.080301 2.076610 -0.844705
H -5.254024 1.890010 0.575779
H -3.038217 0.366529 -1.825053
H -4.697932 -0.323855 -2.321350
H -3.484645 -1.403516 -1.501394
H 4.145568 -0.897303 -0.084211
H 4.524230 0.425830 -1.205435
H -6.297959 -0.292004 0.465687
H 6.203225 -0.320325 1.286503
H 6.586010 0.992728 0.153694
H 6.800067 -0.694803 -1.728677
H 6.416536 -2.006773 -0.595319
H 8.474440 -1.428185 0.767099
H 8.858776 -0.121180 -0.369896
H -6.766625 -3.645904 0.455152
H -6.257375 -3.228253 2.106776
H -7.359812 -2.130186 1.211424
H 8.719048 -3.137837 -1.106077
H 10.219459 -2.187353 -0.902674
H 9.103926 -1.823056 -2.251184


