%chk=000004935.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004935

0 1
 O    1.521500      0.4055000     -0.1367000    
 O   -4.630400     -0.2906000      0.7613000    
 O   0.9373000       2.618300     -0.3843000    
 N    5.124100     -0.2737000     -0.5186000    
 N   -2.539700      -2.174000      0.7640000    
 C    3.708700     -0.5524000     -0.2782000    
 C    5.749200      0.2730000      0.6852000    
 C    5.818000      -1.487000     -0.9490000    
 C    2.888700      0.7252000     -0.3591000    
 C    7.205700      0.6259000      0.4355000    
 C    5.776700      -2.555200      0.1306000    
 C  -0.7396000      0.9856000      7.0799999E-02
 C   0.6487000       1.449900     -0.1768000    
 C   -3.348700      0.1144000      0.5359000    
 C   -2.297400     -0.8024000      0.5330000    
 C  -0.9929000     -0.3668000      0.3003000    
 C   -1.791000       1.902400      7.3799998E-02
 C   -5.579700     -4.0500000E-02 -0.2729000    
 C   -3.095500       1.466900      0.3062000    
 C   -6.660600      -1.109100     -0.2174000    
 C   -7.703100     -0.9151000      -1.303800    
 H    3.524400      -1.041600      0.6874000    
 H    3.308700      -1.235500      -1.040200    
 H    5.256200       1.215200      0.9508000    
 H    5.654200     -0.3668000       1.569700    
 H    5.338700      -1.876000      -1.856900    
 H    6.850200      -1.285300      -1.254200    
 H    3.199600       1.450600      0.3999000    
 H    2.996700       1.181000      -1.351100    
 H    7.850000     -0.2569000      0.3854000    
 H    7.329900       1.208000     -0.4841000    
 H    7.580300       1.240800       1.261700    
 H    4.764000      -2.835600      0.4330000    
 H    6.356300      -2.295300       1.020700    
 H    6.235200      -3.468700     -0.2676000    
 H  -0.1947000      -1.104900      0.3041000    
 H   -1.614500       2.960400     -0.1011000    
 H   -6.019800      0.9510000     -0.1164000    
 H   -5.095000     -5.8499999E-02  -1.257800    
 H   -3.902500       2.194400      0.3142000    
 H   -6.202300      -2.100700     -0.3150000    
 H   -7.141500      -1.095300      0.7680000    
 H   -8.198800      5.5700000E-02  -1.202800    
 H   -7.248300     -0.9672000      -2.298100    
 H   -8.467900      -1.695300      -1.239200    
 H   -3.484300      -2.496100      0.9291000    
 H   -1.773400      -2.833800      0.7592000    


%chk=000004935-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004935

0 1
O 1.634691 0.085528 -0.445438
O -4.656116 -0.876051 -0.045667
O 0.981761 2.237480 -1.056176
N 5.348969 -0.287202 -0.166780
N -2.620667 -2.533815 0.411515
C 3.917778 -0.674091 -0.161348
C 5.776874 0.367012 1.095917
C 6.264540 -1.330139 -0.690151
C 3.051857 0.516921 -0.595877
C 7.103671 1.137601 0.964727
C 6.432896 -2.602140 0.187181
C -0.717995 0.559407 -0.542647
C 0.667248 1.068047 -0.713743
C -3.378737 -0.318259 -0.236388
C -2.305699 -1.236701 0.019040
C -0.978688 -0.777410 -0.140288
C -1.789620 1.451272 -0.791338
C -5.830755 -0.015550 -0.277066
C -3.120474 1.008003 -0.637583
C -7.077348 -0.855172 0.011366
C -8.372144 -0.044072 -0.215075
H 3.568102 -1.034075 0.834601
H 3.761700 -1.504579 -0.873924
H 4.983274 1.083777 1.379067
H 5.851094 -0.363012 1.941556
H 5.891215 -1.624447 -1.689684
H 7.255449 -0.868862 -0.856787
H 3.223466 1.411609 0.029253
H 3.242877 0.792164 -1.647482
H 7.961451 0.464382 0.786361
H 7.046068 1.854133 0.126486
H 7.310723 1.698652 1.894553
H 5.462290 -3.104223 0.356493
H 6.870434 -2.362633 1.173508
H 7.105368 -3.324042 -0.312859
H -0.137018 -1.451092 0.046509
H -1.565237 2.476205 -1.100280
H -5.779252 0.865548 0.395957
H -5.824696 0.339859 -1.328496
H -3.944872 1.700165 -0.831864
H -7.066797 -1.747379 -0.642525
H -7.031464 -1.218059 1.055266
H -8.415614 0.840534 0.447591
H -8.447398 0.311296 -1.259842
H -9.262212 -0.663161 -0.006431
H -3.597699 -2.795903 0.506426
H -1.891895 -3.213630 0.600868


