%chk=000043483.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043483

0 1
 O   -3.473100      -1.032400      7.8900002E-02
 O    1.083500      -1.061100      -1.169100    
 N    3.614200      -3.081500      0.5861000    
 C   -4.693500     -0.3548000      0.4486000    
 C    1.283800       1.785600      -1.075100    
 C   2.1900000E-02   1.048800     -0.7679000    
 C    2.189800       2.028100      0.1450000    
 C   -2.315000       1.100100     -0.1256000    
 C   -2.354800     -0.2943000     -0.1880000    
 C  -2.2600001E-02 -0.3423000     -0.8288000    
 C   -1.120600       1.769700     -0.4173000    
 C    3.440500       2.844100     -0.1958000    
 C   -4.621600       1.153000      0.5082000    
 C   -1.209500      -1.013900     -0.5393000    
 C   -3.509800       1.840900      0.2400000    
 C   -5.086300     -0.8973000       1.827800    
 C   -5.747300     -0.7696000     -0.5848000    
 C    4.299800       3.085000       1.046000    
 C    1.568700      -1.997300     -0.2089000    
 C    3.071300      -2.145700     -0.3872000    
 C    5.523200       3.927400      0.7218000    
 C    2.989500      -4.398900      0.4432000    
 C    5.067800      -3.193500      0.4425000    
 H    1.031200       2.753300      -1.529800    
 H    1.850900       1.255100      -1.850900    
 H    1.617400       2.552600      0.9210000    
 H    2.487500       1.064700      0.5769000    
 H   -1.080400       2.856200     -0.3687000    
 H    4.027900       2.314500     -0.9556000    
 H    3.141500       3.806100     -0.6292000    
 H   -5.521200       1.698200      0.7830000    
 H   -1.254400      -2.099000     -0.5937000    
 H   -3.485600       2.922800      0.2903000    
 H   -4.323500     -0.6501000       2.576000    
 H   -5.157900      -1.991300       1.811600    
 H   -6.046200     -0.4948000       2.169800    
 H   -5.464400     -0.4299000      -1.588500    
 H   -6.736600     -0.3614000     -0.3501000    
 H   -5.830100      -1.861400     -0.6420000    
 H    4.622700       2.125500       1.466500    
 H    3.708300       3.594300       1.815700    
 H    1.343300      -1.658700      0.8113000    
 H    1.038300      -2.935500     -0.3974000    
 H    3.291600      -2.452400      -1.418800    
 H    3.533600      -1.157900     -0.2625000    
 H    6.153400       3.432500     -2.4100000E-02
 H    6.123900       4.086000       1.622900    
 H    5.232400       4.907600      0.3306000    
 H    1.954900      -4.400900      0.7997000    
 H    3.019000      -4.766800     -0.5890000    
 H    3.504800      -5.134900       1.072700    
 H    5.543600      -2.215600      0.5773000    
 H    5.482300      -3.851300       1.214500    
 H    5.356900      -3.586000     -0.5393000    


%chk=000043483-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043483

0 1
O -3.402825 -1.067872 0.102754
O 1.444555 -0.727443 -0.329502
N 3.318857 -3.907038 0.242208
C -4.681355 -0.359983 0.507767
C 1.354561 1.990655 -1.041361
C 0.089236 1.206126 -0.741746
C 2.129098 2.426890 0.233619
C -2.381381 1.089625 -0.516682
C -2.268297 -0.276772 -0.135465
C 0.153273 -0.173183 -0.370508
C -1.187418 1.797800 -0.811238
C 3.419153 3.208570 -0.097687
C -4.819445 0.964386 -0.234097
C -1.014025 -0.914575 -0.070881
C -3.723763 1.653372 -0.663878
C -4.611703 -0.127874 2.036570
C -5.788312 -1.357346 0.130039
C 4.206394 3.650160 1.157415
C 1.574421 -2.157321 -0.000185
C 3.076135 -2.473466 -0.041064
C 5.495549 4.428934 0.816777
C 3.081259 -4.779422 -0.926824
C 4.637728 -4.159844 0.856639
H 1.095114 2.893462 -1.628854
H 2.035009 1.377677 -1.663481
H 1.466547 3.050066 0.868026
H 2.381003 1.524141 0.823119
H -1.262177 2.849502 -1.117374
H 4.073968 2.579519 -0.736957
H 3.163940 4.104974 -0.702301
H -5.835377 1.354382 -0.366142
H -0.981991 -1.969186 0.212978
H -3.830369 2.629301 -1.152955
H -3.758231 0.525063 2.289423
H -4.494654 -1.091420 2.564209
H -5.536400 0.362790 2.392151
H -5.796019 -1.530767 -0.959070
H -6.775368 -0.964894 0.434882
H -5.620619 -2.322216 0.638746
H 4.461718 2.754492 1.759887
H 3.551375 4.277030 1.796481
H 1.172872 -2.360158 1.011342
H 1.007623 -2.760617 -0.737489
H 3.492681 -2.150676 -1.026609
H 3.575903 -1.866908 0.735474
H 6.180899 3.811474 0.205621
H 6.039203 4.735051 1.729709
H 5.264227 5.343421 0.238030
H 2.063894 -4.624117 -1.325224
H 3.808132 -4.601142 -1.759964
H 3.162568 -5.837814 -0.621324
H 4.740967 -3.563987 1.780440
H 4.717752 -5.227520 1.130078
H 5.499112 -3.913700 0.184980


