%chk=000037311.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037311

0 1
 O    3.414700      0.5586000      0.5621000    
 O    2.861600       3.182500      0.4759000    
 N   -2.636300      8.0000004E-03 -0.6376000    
 C   -4.604200      0.5407000      0.7050000    
 C   -5.619000     -0.2997000     -2.0000001E-03
 C   -5.610700     -0.2311000       1.497000    
 C   -3.178600      9.2900001E-02  0.7176000    
 C   -1.262500     -0.5392000     -0.7305000    
 C   -2.709000       1.297000      -1.338300    
 C  -0.1529000      0.4551000     -0.3946000    
 C   -1.078400      -1.846300      6.8400003E-02
 C   -1.794100       2.362300     -0.7295000    
 C  -0.4127000       1.840600     -0.4302000    
 C    1.152700     -3.1099999E-02 -0.1291000    
 C   0.3226000      -2.389900     -9.0499997E-02
 C    1.411500      -1.491900     -0.1654000    
 C   0.6119000       2.744300     -0.1364000    
 C    2.155200      0.9102000      0.1638000    
 C    1.887500       2.280400      0.1631000    
 C   0.5321000      -3.777200     -0.1015000    
 C    2.700100      -2.041400     -0.2927000    
 C    1.819300      -4.291700     -0.2185000    
 C    2.901300      -3.424700     -0.3186000    
 C    3.630900      0.4170000       1.962600    
 C    3.657000       3.674700     -0.6000000    
 H   -4.717300       1.617600      0.6823000    
 H   -5.309700      -1.231400     -0.4597000    
 H   -6.418000      0.2103000     -0.5261000    
 H   -6.406500      0.3241000       1.979000    
 H   -5.297300      -1.114900       2.038800    
 H   -3.156000     -0.8963000       1.185600    
 H   -2.591700      0.7517000       1.367800    
 H   -1.109900     -0.7933000      -1.791200    
 H   -3.734300       1.676500      -1.409800    
 H   -2.411700       1.131800      -2.383800    
 H   -1.813500      -2.587200     -0.2700000    
 H   -1.219700      -1.692100       1.145200    
 H   -2.230100       2.750600      0.1988000    
 H   -1.722100       3.200800      -1.433100    
 H   0.4105000       3.813100     -0.1345000    
 H  -0.3086000      -4.461500     -2.1100000E-02
 H    3.586100      -1.434200     -0.4379000    
 H    1.977600      -5.365800     -0.2356000    
 H    3.906200      -3.822900     -0.4284000    
 H    3.570000       1.388200       2.463200    
 H    4.635400      1.2100000E-02   2.113800    
 H    2.907200     -0.2755000       2.404600    
 H    4.189400       2.855300      -1.093000    
 H    4.392300       4.373100     -0.1909000    
 H    3.033600       4.207600      -1.324900    


%chk=000037311-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037311

0 1
O 3.443619 0.555694 0.582395
O 2.778101 3.321730 0.525785
N -2.668890 -0.077475 -0.689096
C -4.684174 0.545891 0.683227
C -5.818122 -0.309883 0.104457
C -5.720518 -0.093460 1.623316
C -3.257344 0.010001 0.679224
C -1.275001 -0.604459 -0.750714
C -2.737315 1.194646 -1.452589
C -0.187338 0.439822 -0.414626
C -1.064423 -1.856671 0.122653
C -1.894290 2.316800 -0.794045
C -0.494048 1.825205 -0.436764
C 1.141386 -0.020504 -0.126111
C 0.333075 -2.403200 -0.102207
C 1.425996 -1.485518 -0.207737
C 0.521605 2.765344 -0.145455
C 2.129549 0.949859 0.216555
C 1.819004 2.338206 0.180936
C 0.562739 -3.792746 -0.202672
C 2.728734 -2.010855 -0.439824
C 1.863368 -4.301839 -0.415367
C 2.945234 -3.401404 -0.540404
C 3.748606 0.756673 2.018878
C 3.948926 3.399696 -0.377771
H -4.781137 1.630519 0.550806
H -5.542038 -1.289249 -0.296999
H -6.627007 0.188074 -0.438305
H -6.456898 0.558116 2.102680
H -5.398984 -0.937440 2.242532
H -3.273064 -1.011502 1.098516
H -2.639414 0.630601 1.375451
H -1.116006 -0.918465 -1.807028
H -3.791696 1.501822 -1.556238
H -2.353532 0.990446 -2.470979
H -1.828760 -2.615706 -0.123698
H -1.184759 -1.590178 1.192466
H -2.407172 2.675140 0.122476
H -1.823591 3.191699 -1.469242
H 0.319019 3.841751 -0.171246
H -0.288052 -4.479942 -0.120157
H 3.568884 -1.321088 -0.534638
H 2.027263 -5.382440 -0.494518
H 3.957822 -3.779498 -0.721196
H 3.641219 1.822327 2.290770
H 4.791747 0.429044 2.148028
H 3.078176 0.133440 2.639700
H 4.487249 2.435956 -0.408275
H 4.590214 4.189191 0.043423
H 3.623937 3.683629 -1.397172


