%chk=000104494.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104494

0 1
 O    1.570100     -0.9083000      -1.828900    
 O   -1.154200      -1.630900       1.203300    
 O  -0.8944000      -2.105400      -1.040100    
 N   -4.555400     -0.3732000      0.5331000    
 C    1.710400     -0.5501000     -0.4406000    
 C    1.047900      -1.707500      0.3527000    
 C   0.9814000      0.7703000     -0.1527000    
 C    3.220200     -0.3974000     -0.1959000    
 C   -3.111000     -0.3342000      0.7068000    
 C  -0.4346000      -1.850500      6.5600000E-02
 C   -2.575400      -1.712800       1.059400    
 C   -5.131800      0.9651000      0.6827000    
 C   -4.905000     -0.9304000     -0.7758000    
 C   0.2566000       1.402000      -1.163400    
 C    3.857000      -1.195200      0.7549000    
 C    1.044200       1.338600       1.119800    
 C    3.953600      0.5393000     -0.9242000    
 C  -0.4052000       2.601700     -0.9016000    
 C    5.227100      -1.056200      0.9771000    
 C   0.3823000       2.538200       1.381500    
 C    5.323700      0.6781000     -0.7021000    
 C   -4.614100       1.908900     -0.3895000    
 C   -6.411300      -1.040200     -0.9413000    
 C  -0.3424000       3.169700      0.3708000    
 C    5.960300     -0.1195000      0.2484000    
 H    1.171900      -1.575000       1.435100    
 H    1.495900      -2.675700      9.2200004E-02
 H   -2.829300      0.3377000       1.529400    
 H   -2.589200      4.7699999E-02 -0.1795000    
 H   -2.975700      -2.036700       2.027100    
 H   -2.840000      -2.491200      0.3364000    
 H   -6.226600      0.9446000      0.6856000    
 H   -4.865800       1.364400       1.670300    
 H   -4.523100      -1.955100     -0.8462000    
 H   -4.461200     -0.3951000      -1.622800    
 H   0.1834000      0.9969000      -2.167600    
 H    3.335300      -1.937900       1.347800    
 H    1.600600      0.8609000       1.921500    
 H    3.476300       1.166500      -1.672400    
 H   0.6457000      -1.142700      -2.012400    
 H  -0.9706000       3.093400      -1.687900    
 H    5.723800      -1.677000       1.717100    
 H   0.4299000       2.979900       2.372500    
 H    5.894900       1.406600      -1.270100    
 H   -3.525600       2.006800     -0.3990000    
 H   -5.004300       2.913600     -0.1853000    
 H   -4.958900       1.654800      -1.395400    
 H   -6.881600      -1.509500     -7.0299998E-02
 H   -6.886800     -7.1500003E-02  -1.121700    
 H   -6.639400      -1.667700      -1.810400    
 H  -0.8591000       4.102900      0.5749000    
 H    7.027100     -1.1600000E-02  0.4212000    


%chk=000104494-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104494

0 1
O 1.682914 -0.793419 -2.064400
O -1.152014 -1.823554 1.040019
O -0.881859 -1.541827 -1.255238
N -4.698546 -0.607962 0.517735
C 1.793956 -0.396125 -0.650120
C 1.090110 -1.492548 0.222864
C 1.179560 1.007968 -0.455852
C 3.297708 -0.407935 -0.305173
C -3.263905 -0.504238 0.865186
C -0.389179 -1.613045 -0.094472
C -2.638861 -1.913847 0.844623
C -5.594643 0.239436 1.343859
C -4.939912 -0.561112 -0.949456
C 1.382567 1.971742 -1.476960
C 3.778609 0.250606 0.853911
C 0.454973 1.386000 0.702040
C 4.205725 -1.131115 -1.116018
C 0.871023 3.279456 -1.346176
C 5.146040 0.182583 1.200749
C -0.062150 2.696605 0.833087
C 5.575089 -1.193234 -0.771531
C -5.463721 1.774145 1.140957
C -6.321543 -1.105537 -1.355145
C 0.144381 3.648777 -0.188784
C 6.050489 -0.541183 0.389264
H 1.233506 -1.322779 1.301105
H 1.577591 -2.453502 -0.028211
H -3.159385 -0.078784 1.879975
H -2.696899 0.158269 0.172360
H -2.990339 -2.524389 1.688917
H -2.841455 -2.423710 -0.112194
H -6.637927 -0.068528 1.146824
H -5.396885 -0.006381 2.404985
H -4.157663 -1.177267 -1.430819
H -4.808721 0.471629 -1.357165
H 1.935411 1.673463 -2.373342
H 3.091045 0.836241 1.474997
H 0.278834 0.668321 1.511377
H 3.826587 -1.619259 -2.017803
H 0.713830 -0.983355 -2.230793
H 1.036839 4.011102 -2.145151
H 5.506124 0.699954 2.097331
H -0.621789 2.971242 1.734805
H 6.270588 -1.749259 -1.410755
H -4.433621 2.119798 1.347273
H -6.145425 2.309126 1.828201
H -5.722784 2.073714 0.109369
H -6.465748 -2.123229 -0.951114
H -7.145985 -0.468350 -0.987024
H -6.403212 -1.148967 -2.456693
H -0.254272 4.664435 -0.086678
H 7.112544 -0.590073 0.655355


