%chk=000045612.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045612

0 1
 O  -0.5493000     -0.6333000      0.1636000    
 O    2.965300       1.428900      0.2701000    
 O   0.5175000       1.027300       1.348300    
 O    5.274200      0.1179000     -0.5003000    
 N   -4.228100     -0.4046000      0.1903000    
 C   -4.387600      0.9554000     -0.3434000    
 C   -5.277200      -1.300500     -0.3163000    
 C   -5.750000       1.539500      3.3199999E-02
 C   -6.668700     -0.7901000      6.1400000E-02
 C   -6.887800      0.6364000     -0.4292000    
 C   -2.903500     -0.9308000     -0.1379000    
 C   -1.815300     -7.7100001E-02  0.4934000    
 C   0.5383000      2.0400001E-02  0.6575000    
 C    1.792800     -0.6566000      0.2425000    
 C    2.947900      7.9800002E-02  6.9399998E-02
 C    1.758300      -2.023000      4.2500000E-02
 C    4.115900     -0.5760000     -0.3198000    
 C    2.926200      -2.678700     -0.3467000    
 C    4.105000      -1.955300     -0.5278000    
 C    2.672300       2.253500     -0.8550000    
 C    2.726400       3.705400     -0.4297000    
 C    6.127200      0.2616000      0.6338000    
 H   -4.267900      0.9673000      -1.434700    
 H   -3.657600       1.650900      7.8299999E-02
 H   -5.152800      -2.300800      0.1162000    
 H   -5.207600      -1.405900      -1.407100    
 H   -5.807000       1.669900       1.121500    
 H   -5.864000       2.533600     -0.4140000    
 H   -7.433200      -1.449200     -0.3653000    
 H   -6.789200     -0.8242000       1.151600    
 H   -6.938200      0.6431000      -1.524900    
 H   -7.845700       1.018600     -5.9900001E-02
 H   -2.797400      -1.955100      0.2428000    
 H   -2.746800     -0.9941000      -1.223100    
 H   -1.930800     -5.3800002E-02   1.583900    
 H   -1.813300      0.9454000      0.1073000    
 H   0.8595000      -2.614100      0.1905000    
 H    2.919100      -3.753100     -0.5055000    
 H    5.011100      -2.472900     -0.8310000    
 H    1.674700       2.019600      -1.243700    
 H    3.408200       2.074700      -1.647300    
 H    2.508500       4.368100      -1.272000    
 H    2.003200       3.899700      0.3692000    
 H    3.715600       3.953600     -3.1099999E-02
 H    7.002900      0.8426000      0.3322000    
 H    5.612300      0.7968000       1.437900    
 H    6.462100     -0.7183000      0.9883000    


%chk=000045612-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045612

0 1
O -0.586853 -0.440190 -0.263344
O 3.194465 1.280871 0.507891
O 0.460647 1.636660 -0.283729
O 5.515046 -0.238136 -0.158534
N -4.303005 -0.222815 0.142301
C -4.886909 0.267873 -1.132648
C -5.253472 -1.099638 0.872972
C -6.182834 1.064429 -0.878728
C -6.559891 -0.345590 1.194090
C -7.205539 0.208606 -0.096648
C -2.962779 -0.829046 -0.032600
C -1.886137 0.263090 -0.061010
C 0.541758 0.386468 -0.363218
C 1.778316 -0.418872 -0.596545
C 3.057800 0.080314 -0.209030
C 1.685127 -1.679460 -1.246869
C 4.222344 -0.699023 -0.477690
C 2.845564 -2.422490 -1.538205
C 4.113414 -1.935203 -1.150972
C 3.441460 2.498633 -0.328347
C 3.443986 3.688414 0.624560
C 5.792049 -0.018444 1.281088
H -5.110986 -0.590049 -1.822603
H -4.145851 0.910038 -1.642920
H -4.769236 -1.433048 1.809580
H -5.500962 -2.019159 0.277388
H -5.933722 1.971354 -0.294846
H -6.607701 1.393165 -1.846762
H -7.257567 -1.026324 1.719096
H -6.325459 0.491293 1.880087
H -7.539432 -0.637531 -0.733150
H -8.105662 0.804780 0.145234
H -2.756687 -1.498356 0.822272
H -2.888561 -1.450458 -0.958195
H -1.855392 0.818887 0.891588
H -2.030326 0.989139 -0.881281
H 0.695840 -2.053454 -1.522663
H 2.765348 -3.383437 -2.056685
H 5.031963 -2.493855 -1.357483
H 2.621879 2.579309 -1.064713
H 4.412134 2.371670 -0.847417
H 3.623770 4.622886 0.061849
H 2.467953 3.765547 1.132115
H 4.234482 3.584516 1.388642
H 6.819734 0.373651 1.319276
H 5.079265 0.705640 1.710190
H 5.736118 -0.980157 1.826616


