%chk=000115472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115472

0 1
 O   -1.954300       1.020600      -1.079700    
 O   0.1253000       1.901100      -1.497900    
 N    2.818500       1.193400      0.5174000    
 C  -0.1042000      1.9700000E-02  8.6999997E-02
 C   0.4356000      0.9165000       1.277800    
 C    1.625100       1.876400       1.007800    
 C   -1.289100     -0.8800000      0.5492000    
 C   0.9642000     -0.9410000     -0.5003000    
 C  -0.5919000       1.075600     -0.9442000    
 C    1.991200       2.621300       2.295100    
 C   -1.631000     -0.8449000       1.868100    
 C    1.322500     -0.7723000      -1.807200    
 C   -1.907500      -1.643700     -0.3951000    
 C    1.482700      -1.897600      0.3246000    
 C    3.309100      0.2386000       1.512000    
 C    3.863500       2.161500      0.1825000    
 C   -2.605800       2.271100      -1.323300    
 C   -2.692100      -1.650300       2.281900    
 C    2.282800      -1.635400      -2.335000    
 C   -2.968600      -2.449000      1.8600000E-02
 C    2.443100      -2.760700     -0.2031000    
 C   -3.361000      -2.452200       1.357100    
 C    2.843200      -2.629600      -1.532800    
 C   -2.300900       3.225900     -0.1791000    
 C   -4.100100       2.034700      -1.481200    
 H  -0.3901000       1.558900       1.621500    
 H   0.6961000      0.2915000       2.138200    
 H    1.311800       2.639900      0.2906000    
 H    1.104400       3.159500       2.655500    
 H    2.290200       1.965900       3.119100    
 H    2.753500       3.393000       2.158500    
 H   -1.171000     -0.2454000       2.639600    
 H   0.9015000     -4.8000000E-02  -2.489600    
 H   -1.615900      -1.653900      -1.439900    
 H    1.170300      -2.026300       1.355200    
 H    4.003100     -0.4534000       1.020200    
 H    3.894200      0.7249000       2.303200    
 H    2.567000     -0.3712000       2.021600    
 H    3.482300       2.944300     -0.4832000    
 H    4.344200       2.633300       1.045500    
 H    4.656000       1.649400     -0.3765000    
 H   -2.228600       2.687700      -2.265500    
 H   -3.000300      -1.652000       3.323500    
 H    2.589000      -1.539500      -3.372700    
 H   -3.489700      -3.073200     -0.7015000    
 H    2.876500      -3.537300      0.4203000    
 H   -4.187700      -3.078600       1.679200    
 H    3.589000      -3.303200      -1.944500    
 H   -2.550700       2.771100      0.7860000    
 H   -1.244200       3.504900     -0.1355000    
 H   -2.875500       4.152400     -0.2819000    
 H   -4.521000       1.582800     -0.5761000    
 H   -4.289800       1.331800      -2.299600    
 H   -4.633000       2.967200      -1.689600    


%chk=000115472-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115472

0 1
O -1.498771 1.705413 -0.190925
O -0.769013 0.557669 -2.071464
N 2.413056 1.556578 0.480552
C -0.153477 -0.269980 0.216997
C 0.316842 0.512523 1.492179
C 1.196685 1.778622 1.303309
C -1.349956 -1.230520 0.549939
C 1.003706 -1.130985 -0.357537
C -0.777870 0.691059 -0.825359
C 1.479811 2.403765 2.703779
C -1.905128 -1.377074 1.844143
C 1.770235 -0.778503 -1.495385
C -1.893213 -2.008364 -0.508624
C 1.345347 -2.320615 0.338417
C 3.455215 0.703170 1.077289
C 2.967433 2.782941 -0.117561
C -2.335044 2.602998 -1.070584
C -2.974876 -2.274864 2.074798
C 2.840758 -1.595826 -1.923018
C -2.963319 -2.897018 -0.282510
C 2.422039 -3.133228 -0.079385
C -3.512365 -3.035848 1.014519
C 3.176375 -2.775200 -1.219131
C -1.446241 3.714497 -1.647654
C -3.462648 3.107914 -0.167742
H -0.579225 0.870302 2.029229
H 0.828916 -0.209176 2.158586
H 0.584395 2.506454 0.737696
H 0.535588 2.693644 3.201011
H 2.005819 1.690653 3.365605
H 2.104771 3.310897 2.610957
H -1.512654 -0.804624 2.689011
H 1.536330 0.131686 -2.049032
H -1.465804 -1.914326 -1.513528
H 0.753505 -2.626377 1.209667
H 4.188298 0.428763 0.296669
H 4.011696 1.190676 1.915553
H 3.014035 -0.235934 1.450504
H 2.165900 3.347873 -0.628291
H 3.460636 3.471251 0.615505
H 3.727335 2.509611 -0.873689
H -2.725211 1.970691 -1.889920
H -3.384884 -2.376952 3.086292
H 3.414365 -1.307518 -2.811682
H -3.365891 -3.483790 -1.115914
H 2.661761 -4.046453 0.477474
H -4.341930 -3.728782 1.194736
H 4.007131 -3.405818 -1.556310
H -0.991898 4.311126 -0.836089
H -0.647026 3.287609 -2.276184
H -2.053858 4.392063 -2.275299
H -3.058100 3.709866 0.665270
H -4.031460 2.262656 0.255408
H -4.156217 3.741007 -0.750480


