%chk=000010627.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010627

0 1
 O   -1.856000      -1.164900     -0.3661000    
 O   0.7594000       1.374800      0.5480000    
 O    4.168400      0.4164000      0.9630000    
 O    1.490800     -0.5765000      -1.346200    
 O    3.281500       3.082000      7.5599998E-02
 O    2.046800      0.8725000       2.382300    
 O   -2.508600      -2.431300       1.442700    
 N   -3.320400       1.998900     -0.9464000    
 C   -2.133800       1.245700     -0.4358000    
 C   -2.672500     -9.3400002E-02  7.1800001E-02
 C   -4.058400     -0.1826000     -0.5433000    
 C   -4.515100       1.260800     -0.5088000    
 C   -1.512600       2.122300      0.6091000    
 C   -3.245400       3.349500     -0.3484000    
 C   -2.139900       3.301000      0.6523000    
 C  -0.3356000       1.699900       1.410200    
 C    3.004700      0.6571000      0.1430000    
 C    2.723100     -0.6753000     -0.6284000    
 C    1.903800      0.9707000       1.168700    
 C    3.353200       1.896500     -0.7292000    
 C   -1.862300      -2.287900      0.4146000    
 C    2.600500      -1.878900      0.3249000    
 C    3.826900     -0.9862000      -1.654000    
 C    2.531600       2.135200      -1.989600    
 C  -0.9543000      -3.321300     -0.1696000    
 C  -0.7973000      -3.369700      -1.660500    
 C  -0.3692000      -4.154200      0.7108000    
 C   0.5906000      -5.261200      0.4093000    
 H   -1.425200       1.104300      -1.261800    
 H   -2.756900     -7.3200002E-02   1.167300    
 H   -4.012100     -0.5665000      -1.570200    
 H   -4.718300     -0.8441000      2.6699999E-02
 H   -4.816000       1.521500      0.5143000    
 H   -5.361400       1.439300      -1.178600    
 H   -2.998800       4.075900      -1.130400    
 H   -4.186100       3.665000      0.1164000    
 H   -1.874400       4.123800       1.299900    
 H  -0.5954000      0.8218000       2.012700    
 H  -2.6500000E-02   2.505000       2.088000    
 H    4.405100       1.813800      -1.032200    
 H    2.321700      -2.778000     -0.2368000    
 H    3.534300      -2.100300      0.8499000    
 H    1.805300      -1.726500       1.061900    
 H    3.907100     -0.2399000      -2.445700    
 H    3.619800      -1.933900      -2.166300    
 H    4.806200      -1.076800      -1.172400    
 H    2.587900       1.327800      -2.718900    
 H    2.873800       3.048400      -2.491000    
 H    1.478300       2.307800      -1.746600    
 H    3.938800     -0.2163000       1.663400    
 H    1.427300      -1.344000      -1.938400    
 H    3.599100       3.825600     -0.4646000    
 H  -0.1644000      -4.186900      -2.010800    
 H  -0.3716000      -2.439700      -2.042500    
 H   -1.779000      -3.504200      -2.128400    
 H  -0.5710000      -4.031200       1.773900    
 H   0.9081000      -5.304900     -0.6335000    
 H    1.492000      -5.135900       1.018300    
 H   0.1380000      -6.222900      0.6700000    


%chk=000010627-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010627

0 1
O -2.079457 -1.351995 -0.218727
O 0.882496 1.112303 0.406912
O 4.546701 0.868873 0.608373
O 2.035757 -0.561873 -1.701465
O 3.195489 3.253106 -0.003556
O 2.393243 1.003442 2.164598
O -3.143072 -2.579293 1.458234
N -3.272729 2.043564 -0.801361
C -2.176612 1.103332 -0.365851
C -2.911749 -0.174250 0.123647
C -4.247286 -0.145490 -0.650498
C -4.593952 1.360709 -0.665795
C -1.398132 1.889427 0.682228
C -3.112824 3.347723 -0.093339
C -1.922963 3.134421 0.827840
C -0.221179 1.332235 1.418598
C 3.277462 0.882655 -0.131487
C 3.286039 -0.493421 -0.901532
C 2.146704 0.989707 0.931593
C 3.289410 2.169845 -1.017577
C -2.280285 -2.514524 0.543968
C 3.308936 -1.663080 0.107263
C 4.505133 -0.565113 -1.848926
C 2.214867 2.344522 -2.097952
C -1.340434 -3.598314 0.115747
C -0.377362 -3.297343 -1.014683
C -1.440572 -4.780681 0.798848
C -0.636583 -6.036154 0.596739
H -1.514630 0.810966 -1.206457
H -3.088296 -0.175881 1.215045
H -4.070300 -0.513306 -1.677384
H -5.025979 -0.764532 -0.177339
H -5.104613 1.647895 0.285241
H -5.272627 1.618150 -1.499425
H -2.923328 4.181628 -0.801607
H -4.033534 3.614746 0.473906
H -1.544515 3.908914 1.502406
H -0.428887 0.346641 1.874917
H 0.154582 2.013971 2.199839
H 4.301092 2.201612 -1.471649
H 3.366056 -2.626280 -0.435593
H 4.183293 -1.583537 0.772781
H 2.393156 -1.670353 0.724562
H 4.412479 0.169849 -2.666914
H 4.570070 -1.573865 -2.299813
H 5.436647 -0.368267 -1.293488
H 2.251098 1.524577 -2.832008
H 2.381976 3.303911 -2.628177
H 1.208396 2.346041 -1.651396
H 4.373365 1.280525 1.497702
H 2.017571 -1.448338 -2.145506
H 3.125909 4.121063 -0.472765
H 0.318990 -4.134957 -1.186967
H 0.203483 -2.381724 -0.800792
H -0.926931 -3.101951 -1.954146
H -2.201524 -4.816191 1.593023
H 0.112417 -5.954632 -0.207506
H -0.110599 -6.310193 1.532531
H -1.306261 -6.886114 0.358739


