%chk=000018804.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018804

0 1
 O   0.1092000      -1.118700     -0.9887000    
 O   0.7711000      -2.447400      0.7778000    
 N  -0.3235000       3.798400      -1.050300    
 C   0.3378000      5.3199999E-02 -0.1914000    
 C  -2.3200000E-02   1.303300      -1.093400    
 C  -0.5862000     -4.0399998E-02   1.065100    
 C   0.1694000       2.634900     -0.3159000    
 C    1.812300      0.1076000      0.2427000    
 C   0.7823000       1.343600      -2.407300    
 C   -2.074800     -0.1012000      0.7805000    
 C    2.113800      0.6801000       1.452900    
 C    2.758800     -0.4195000     -0.5995000    
 C   0.3698000      -2.305900     -0.3692000    
 C   -2.792500       1.077700      0.7011000    
 C   -2.676400      -1.333700      0.6074000    
 C    3.451100      0.7292000       1.846800    
 C    4.096000     -0.3704000     -0.2054000    
 C  -0.1860000       5.007700     -0.2531000    
 C   8.0100000E-02  -3.430400      -1.335500    
 C    4.442000      0.2039000       1.017700    
 C   -4.161500       1.021900      0.4393000    
 C   -4.045400      -1.389300      0.3454000    
 C   -4.787800     -0.2114000      0.2613000    
 C   0.3636000      -4.793300     -0.7283000    
 H   -1.070900       1.209100      -1.404800    
 H  -0.4756000      0.8333000       1.715400    
 H  -0.3467000     -0.8626000       1.746300    
 H    1.239700       2.791100     -0.1362000    
 H  -0.3125000       2.607400      0.6611000    
 H   0.7407000      0.3855000      -2.934500    
 H    1.830700       1.609100      -2.242600    
 H   0.3653000       2.094600      -3.087700    
 H    1.400200       1.131000       2.127600    
 H    2.520100     -0.8618000      -1.560800    
 H   -1.306000       3.659400      -1.284400    
 H   -2.341400       2.048400      0.8628000    
 H   -2.120700      -2.261000      0.6908000    
 H    3.722400       1.182500       2.795900    
 H    4.868200     -0.7767000     -0.8521000    
 H  -0.7744000       4.952900      0.6687000    
 H   0.8616000       5.199800      1.1000000E-03
 H  -0.5460000       5.865800     -0.8292000    
 H   0.7059000      -3.293100      -2.223700    
 H  -0.9740000      -3.374800      -1.627100    
 H    5.483400      0.2441000       1.323400    
 H   -4.741100       1.938600      0.3805000    
 H   -4.534300      -2.350000      0.2121000    
 H   -5.854200     -0.2550000      5.9999999E-02
 H    1.413400      -4.879500     -0.4291000    
 H   0.1470000      -5.585500      -1.451300    
 H  -0.2529000      -4.962800      0.1608000    


%chk=000018804-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018804

0 1
O 0.137225 -1.071670 -0.897556
O 0.621241 -2.685135 0.739533
N -0.435119 3.752209 -1.092229
C 0.385851 0.128594 -0.002742
C 0.050553 1.319636 -0.974709
C -0.596006 0.056252 1.221324
C 0.256079 2.707723 -0.309195
C 1.861112 0.139863 0.439965
C 0.813243 1.270905 -2.317460
C -2.072412 -0.105763 0.886936
C 2.266709 0.776886 1.641025
C 2.865678 -0.429576 -0.385877
C 0.292806 -2.377453 -0.428394
C -2.907909 1.024615 0.681540
C -2.662971 -1.394927 0.817180
C 3.629473 0.837719 2.007784
C 4.226725 -0.373807 -0.020355
C -0.224250 5.126720 -0.605651
C -0.012068 -3.355078 -1.556862
C 4.618169 0.262643 1.179539
C -4.282498 0.874636 0.391837
C -4.036656 -1.550875 0.525954
C -4.851819 -0.416672 0.305690
C 0.129624 -4.826432 -1.130245
H -1.030126 1.206763 -1.200742
H -0.466233 0.986274 1.801472
H -0.256652 -0.778755 1.856442
H 1.336225 2.951322 -0.291817
H -0.079804 2.696240 0.758664
H 0.581678 0.351245 -2.878995
H 1.905730 1.324461 -2.162015
H 0.514819 2.148028 -2.916943
H 1.524805 1.225289 2.309195
H 2.576447 -0.929062 -1.316122
H -1.431855 3.528448 -1.219061
H -2.482307 2.032218 0.773875
H -2.044100 -2.277551 1.016308
H 3.915796 1.330381 2.943899
H 4.981270 -0.828768 -0.671982
H -0.510395 5.288767 0.463579
H 0.844754 5.392346 -0.704157
H -0.801907 5.834486 -1.226307
H 0.660238 -3.117708 -2.404110
H -1.034913 -3.137134 -1.920377
H 5.674870 0.305269 1.465920
H -4.909710 1.761140 0.243034
H -4.473122 -2.555342 0.481807
H -5.918218 -0.536603 0.083941
H 1.152616 -5.039608 -0.776062
H -0.094778 -5.495049 -1.980092
H -0.560009 -5.068409 -0.303385


