%chk=000029676.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029676

0 1
 O   8.9800000E-02   1.344000      -2.078100    
 O   -3.714300      -2.337500      0.5030000    
 O   -4.363200       2.386300      5.1700000E-02
 O   -5.319600     -0.1006000      0.8076000    
 N    5.502200      0.7886000       1.032000    
 N   0.7523000     -0.5597000     -0.9326000    
 C    3.002600      0.3106000     -0.4437000    
 C    3.307200     -0.3972000      0.8958000    
 C    2.129700     -0.5518000      -1.379500    
 C    3.849000      -1.821800      0.6861000    
 C    4.309000      0.7418000      -1.134300    
 C    4.265100      0.4540000       1.750600    
 C    2.647400      -1.986100      -1.529600    
 C    2.915600      -2.656500     -0.1847000    
 C    5.207200       1.544800     -0.1914000    
 C    6.407700       1.545900       1.895700    
 C  -0.1594000      0.4040000      -1.327800    
 C   -1.526100      0.2708000     -0.7607000    
 C   -2.303000       1.402000     -0.6216000    
 C   -1.975100     -0.9808000     -0.3932000    
 C   -3.258900      -1.106700      0.1374000    
 C   -3.586900       1.276000     -9.0999998E-02
 C   -4.064800      2.1800000E-02  0.2885000    
 C   -3.465800      -2.747600       1.846200    
 C   -4.266300       3.090400       1.288100    
 C   -6.381300     -0.3346000     -0.1147000    
 H    2.452100       1.233900     -0.2099000    
 H    2.365100     -0.4859000       1.454800    
 H    2.131400     -9.3699999E-02  -2.377100    
 H    3.968400      -2.316700       1.657600    
 H    4.843800      -1.798400      0.2256000    
 H    4.863400     -0.1297000      -1.501800    
 H    4.075400       1.355400      -2.013000    
 H    3.746500       1.370200       2.065100    
 H    4.506300     -0.1030000       2.664900    
 H    1.929400      -2.590900      -2.097300    
 H    3.576500      -1.979600      -2.112400    
 H    1.972000      -2.827500      0.3466000    
 H    3.361200      -3.643700     -0.3535000    
 H    4.727700       2.503700      4.6100002E-02
 H    6.140100       1.771600     -0.7217000    
 H   0.5051000      -1.231800     -0.2148000    
 H    5.972100       2.497900       2.220100    
 H    6.666200      0.9633000       2.786900    
 H    7.348800       1.756600       1.375700    
 H   -1.937600       2.383500     -0.9106000    
 H   -1.387900      -1.883400     -0.5305000    
 H   -3.940800      -2.060200       2.553400    
 H   -3.894700      -3.743700       1.985200    
 H   -2.389300      -2.799800       2.038000    
 H   -4.949700       3.943100       1.251200    
 H   -4.556700       2.445100       2.123200    
 H   -3.248300       3.463700       1.437900    
 H   -7.314800     -0.4088000      0.4496000    
 H   -6.223400      -1.273900     -0.6541000    
 H   -6.466300      0.4953000     -0.8232000    


%chk=000029676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029676

0 1
O 0.306472 1.418075 -1.749747
O -3.678220 -2.510961 0.650701
O -4.351905 2.361407 0.032604
O -5.415278 -0.202405 0.831081
N 5.676288 0.875880 0.922119
N 0.894818 -0.658466 -0.899701
C 3.175562 0.312624 -0.516786
C 3.504024 -0.374317 0.841062
C 2.279511 -0.587467 -1.422341
C 4.080745 -1.800889 0.655884
C 4.465999 0.760371 -1.247031
C 4.444221 0.529707 1.671256
C 2.850303 -2.018060 -1.573432
C 3.151598 -2.685328 -0.208045
C 5.350460 1.616897 -0.320412
C 6.652285 1.594404 1.762481
C -0.015803 0.357787 -1.118419
C -1.408394 0.161042 -0.568685
C -2.235139 1.306602 -0.485812
C -1.910843 -1.091709 -0.138060
C -3.232075 -1.211642 0.348162
C -3.545776 1.199940 0.011097
C -4.075113 -0.065209 0.401211
C -4.324713 -2.715556 1.966558
C -4.812299 2.779309 1.377182
C -6.416615 0.040184 -0.240702
H 2.590222 1.231122 -0.306991
H 2.553982 -0.464776 1.412298
H 2.208148 -0.100723 -2.414216
H 4.226542 -2.267160 1.650781
H 5.083056 -1.733180 0.192527
H 5.057426 -0.110416 -1.586317
H 4.194741 1.349616 -2.144891
H 3.885466 1.457330 1.972136
H 4.739361 0.007673 2.602463
H 2.147879 -2.633951 -2.167916
H 3.789982 -1.958708 -2.154545
H 2.206740 -2.878546 0.346454
H 3.611564 -3.678169 -0.375061
H 4.818686 2.579354 -0.088745
H 6.297214 1.877736 -0.830027
H 0.637402 -1.460530 -0.324238
H 6.272041 2.577859 2.142064
H 6.921583 0.973953 2.636445
H 7.572889 1.787521 1.182533
H -1.848877 2.274381 -0.817180
H -1.332426 -2.018759 -0.210837
H -5.214742 -2.074318 2.071610
H -4.604526 -3.779859 1.982544
H -3.603651 -2.504634 2.780036
H -5.441553 3.665923 1.206398
H -5.396273 1.977471 1.863678
H -3.943943 3.051017 2.006760
H -7.397828 -0.065996 0.246398
H -6.302746 -0.716691 -1.037943
H -6.296371 1.055942 -0.656641


