%chk=000044263.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044263

0 1
 O   -2.623800      4.8799999E-02  -1.340500    
 O   -4.142800      -2.771400      0.2562000    
 O   -6.174200      -2.621700     -0.7433000    
 N   -1.653000      0.4492000      0.7606000    
 N   -3.854900     -0.1979000      0.6005000    
 C    1.995800      0.1621000      2.4000000E-02
 C   0.6592000     -0.1791000      0.3463000    
 C  -0.3316000      0.8139000      0.4390000    
 C    2.985700     -0.8814000     -6.2899999E-02
 C  -4.1000001E-02   2.167100      0.2196000    
 C    1.277900       2.536000     -0.1011000    
 C    2.266500       1.537600     -0.1932000    
 C    2.598500      -2.225600      0.1773000    
 C   0.3162000      -1.514200      0.5754000    
 C    1.270800      -2.522200      0.4927000    
 C   -1.032600       3.158600      0.3127000    
 C    4.350200     -0.6611000     -0.3784000    
 C    1.575800       3.892000     -0.3214000    
 C    3.539400      -3.266700      0.1010000    
 C  -0.7215000       4.499900      9.0999998E-02
 C   0.5821000       4.866600     -0.2258000    
 C    5.276200      -1.705300     -0.4514000    
 C    4.870500      -3.008800     -0.2113000    
 C   -2.690300      9.9200003E-02 -0.1147000    
 C   -5.091200     -0.5921000     -3.4699999E-02
 C   -5.207700      -2.083400     -0.2175000    
 H    3.276500       1.857900     -0.4432000    
 H  -0.6959000      -1.820300      0.8300000    
 H   0.9600000      -3.548400      0.6801000    
 H   -2.064400       2.921600      0.5600000    
 H    4.727100      0.3390000     -0.5765000    
 H    2.588900       4.201100     -0.5704000    
 H   -1.953300      0.7409000       1.688100    
 H    3.240700      -4.297100      0.2856000    
 H   -1.496300       5.257100      0.1665000    
 H   0.8271000       5.910500     -0.3986000    
 H    6.313000      -1.493700     -0.6963000    
 H    5.585900      -3.823600     -0.2668000    
 H   -3.823800     -0.1672000       1.614900    
 H   -5.161600     -0.1137000      -1.015900    
 H   -5.907600     -0.2546000      0.6098000    
 H   -4.242600      -3.738500      0.1259000    


%chk=000044263-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044263

0 1
O -2.203975 -0.614464 -1.375099
O -5.358529 -2.103074 1.659525
O -6.398433 -3.011768 -0.212625
N -1.716449 0.507841 0.645041
N -3.845066 -0.402839 0.283405
C 2.023566 0.225038 -0.024328
C 0.639699 -0.154004 0.233482
C -0.352676 0.856061 0.361900
C 3.038129 -0.830011 -0.196285
C -0.017909 2.244561 0.272151
C 1.374404 2.611608 0.084299
C 2.351986 1.593791 -0.071477
C 2.651263 -2.208779 -0.050647
C 0.312235 -1.557310 0.386393
C 1.273886 -2.535013 0.259043
C -0.999301 3.293594 0.355219
C 4.401522 -0.548280 -0.508034
C 1.729392 4.004424 0.039199
C 3.623141 -3.241500 -0.208863
C -0.621542 4.634856 0.301034
C 0.758867 4.996890 0.154229
C 5.345470 -1.576093 -0.662288
C 4.957265 -2.935788 -0.510429
C -2.557102 -0.200265 -0.233552
C -4.830700 -1.133279 -0.502949
C -5.600558 -2.188504 0.276635
H 3.388845 1.908858 -0.225805
H -0.720649 -1.833033 0.608608
H 1.007163 -3.591237 0.382817
H -2.060726 3.033048 0.426985
H 4.731767 0.486374 -0.641425
H 2.784060 4.272712 -0.094741
H -2.154682 0.990785 1.432892
H 3.307011 -4.285173 -0.094213
H -1.382298 5.421326 0.356124
H 1.040561 6.054673 0.117513
H 6.384870 -1.328780 -0.904510
H 5.695923 -3.735296 -0.632733
H -4.038901 -0.276833 1.278035
H -4.304536 -1.616858 -1.347230
H -5.589489 -0.461970 -0.957359
H -5.893605 -2.795188 2.133362


