%chk=000057716.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057716

0 1
 O   -2.681700     -0.6999000       1.326700    
 O   -2.733200      -1.121800      -1.046100    
 O    1.296300      -1.241700      0.1404000    
 N    4.566700      0.4126000     -0.1808000    
 C   -2.428500      -1.654600      0.2665000    
 C  -0.9482000      -2.032800      0.3016000    
 C  -5.9400000E-02 -0.8174000      0.1144000    
 C   -3.305900      -2.882800      0.5040000    
 C    3.615600     -0.6727000      7.7999998E-03
 C   -3.130800      0.3743000      0.6199000    
 C   -3.160000      0.1334000     -0.7345000    
 C    2.188800     -0.1489000     -3.0200001E-02
 C    5.940100     -9.7099997E-02 -0.1863000    
 C    4.408600       1.427600      0.8636000    
 C   -3.522800       1.585700       1.150900    
 C   -3.582900       1.090800      -1.633400    
 C    6.129700      -1.152800      -1.262300    
 C    5.349500       2.598900      0.6376000    
 C   -3.956000       2.572500      0.2622000    
 C   -3.985900       2.326500      -1.121900    
 H  -0.7184000      -2.764400     -0.4835000    
 H  -0.6947000      -2.506300       1.258800    
 H  -0.2572000     -0.3334000     -0.8483000    
 H  -0.2178000     -9.1200002E-02  0.9193000    
 H   -3.113300      -3.325900       1.486700    
 H   -3.148900      -3.640000     -0.2714000    
 H   -4.366500      -2.607100      0.4762000    
 H    3.788200      -1.212500      0.9488000    
 H    3.680800      -1.419700     -0.7909000    
 H    1.980000      0.5460000      0.7869000    
 H    1.985600      0.3470000     -0.9872000    
 H    6.227400     -0.5103000      0.7888000    
 H    6.647000      0.7028000     -0.4293000    
 H    4.560300       1.013200       1.868000    
 H    3.412700       1.876900      0.8352000    
 H   -3.497800       1.771400       2.218600    
 H   -3.604100      0.8970000      -2.699700    
 H    7.200200      -1.338600      -1.407000    
 H    5.723600     -0.8295000      -2.227000    
 H    5.683600      -2.114300     -0.9898000    
 H    5.055300       3.435800       1.281500    
 H    5.313000       2.956300     -0.3973000    
 H    6.385600       2.359300      0.8956000    
 H   -4.272900       3.540000      0.6422000    
 H   -4.325800       3.106100      -1.798200    


%chk=000057716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057716

0 1
O -2.753177 -0.361094 1.318060
O -2.621544 -1.118365 -0.961260
O 1.405437 -1.125492 0.504316
N 4.866048 0.257406 0.121039
C -2.365996 -1.553612 0.467357
C -0.877613 -1.841150 0.648311
C 0.030642 -0.659888 0.290519
C -3.300942 -2.713765 0.798513
C 3.786205 -0.725574 0.392181
C -3.452992 0.519433 0.461835
C -3.376203 0.074019 -0.877684
C 2.402230 -0.104303 0.156135
C 6.073873 -0.352907 -0.495347
C 5.175608 1.106699 1.303526
C -4.118647 1.697485 0.811373
C -3.961582 0.786455 -1.927742
C 5.873457 -0.700323 -1.982864
C 5.768658 2.476885 0.922808
C -4.723733 2.432795 -0.247121
C -4.646970 1.987127 -1.587135
H -0.607753 -2.707567 0.017199
H -0.700694 -2.130934 1.700202
H -0.116542 -0.361295 -0.768796
H -0.186515 0.214292 0.940050
H -3.171286 -3.016629 1.851499
H -3.079861 -3.575950 0.146583
H -4.350453 -2.411949 0.643306
H 3.829643 -1.130533 1.430747
H 3.893207 -1.588768 -0.287899
H 2.257197 0.801335 0.786479
H 2.299620 0.197238 -0.907954
H 6.402028 -1.264855 0.065728
H 6.899553 0.377246 -0.414087
H 5.862974 0.580506 2.014532
H 4.230494 1.273440 1.853558
H -4.168871 2.034673 1.850126
H -3.892510 0.434975 -2.960640
H 6.796312 -1.139071 -2.406774
H 5.617238 0.209377 -2.553317
H 5.057918 -1.432309 -2.126827
H 5.954304 3.083480 1.829108
H 5.069376 3.022979 0.265971
H 6.729340 2.375969 0.386143
H -5.258733 3.359105 -0.013462
H -5.122842 2.571813 -2.381199


