%chk=000005596.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005596

1 1
 O  -0.1426000      0.1203000     -0.9072000    
 O   0.8267000      -1.964800     -0.9413000    
 O    1.217700     -0.3554000       1.600600    
 N   -4.135500      7.4000000E-03  0.1370000    
 C   -3.418600      -1.357500      0.2204000    
 C   -3.891900      0.3538000      -1.338000    
 C   -3.916600      -2.073300      -1.046900    
 C   -4.244800     -0.9594000      -2.048200    
 C   -3.702700       1.079900       1.134300    
 C   -5.635800     -0.1011000      0.4800000    
 C   -1.896900      -1.146900      0.1528000    
 C   -2.409300      0.7202000      -1.525200    
 C   -1.450100     -0.4041000      -1.112800    
 C   -4.403800      0.6961000       2.420600    
 C   -5.705400      3.9999999E-02   1.992700    
 C   0.8274000     -0.7944000     -0.5783000    
 C    1.880800     -0.1616000      0.3347000    
 C    2.110100       1.330100      7.9800002E-02
 C    3.206200     -0.9268000      0.3258000    
 C    2.093900       1.786300      -1.218000    
 C    3.973500     -0.9017000     -0.8160000    
 C    2.323200       2.157200       1.158400    
 C    3.579900      -1.610100       1.460100    
 C    2.302600       3.145800      -1.450400    
 C    5.181600      -1.598800     -0.8241000    
 C    2.531800       3.516700      0.9259000    
 C    4.788100      -2.307200       1.451900    
 C    2.521400       4.010900     -0.3785000    
 C    5.588900      -2.301500      0.3098000    
 H   -3.714500      -1.867900       1.142400    
 H   -4.545000       1.184600      -1.624800    
 H   -4.818000      -2.659100     -0.8327000    
 H   -3.179300      -2.777400      -1.447400    
 H   -3.705100      -1.083800      -2.992900    
 H   -5.314600     -0.9856000      -2.287600    
 H   -4.076200       2.038800      0.7548000    
 H   -2.617900       1.131100       1.233000    
 H   -6.053200      -1.044300      0.1205000    
 H   -6.141000      0.7383000     -1.1700000E-02
 H   -1.539900     -0.6374000       1.054500    
 H   -1.418700      -2.133900      0.1893000    
 H   -2.223600      0.9687000      -2.578400    
 H   -2.167300       1.640200     -0.9790000    
 H   -1.397900      -1.114100      -1.949100    
 H   -4.571300       1.564100       3.065500    
 H   -3.794600     -1.8400000E-02   2.986600    
 H   -5.809300     -0.9405000       2.471000    
 H   -6.576200      0.6353000       2.286300    
 H    1.002500      -1.298500       1.707800    
 H    1.937800       1.136500      -2.072900    
 H    3.671600     -0.3864000      -1.719800    
 H    2.346400       1.790000       2.179400    
 H    2.998500      -1.633100       2.374600    
 H    2.297500       3.530400      -2.466100    
 H    5.802600      -1.599400      -1.715100    
 H    2.705200       4.190200       1.760200    
 H    5.107300      -2.852400       2.335400    
 H    2.685300       5.069200     -0.5595000    
 H    6.529200      -2.844900      0.3032000    


%chk=000005596-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005596

1 1
O -0.116693 -0.095538 -0.302195
O 0.686072 -2.272974 -0.235500
O 1.926839 -0.751675 2.036285
N -4.261384 0.119675 0.007910
C -3.681200 -1.294564 0.350810
C -3.706435 0.298328 -1.434031
C -4.035128 -2.107780 -0.928452
C -4.074309 -1.058403 -2.093441
C -3.923940 1.250614 0.993137
C -5.806441 0.116438 0.056853
C -2.159651 -1.189597 0.563892
C -2.184186 0.543916 -1.356803
C -1.441820 -0.637316 -0.696309
C -4.903297 1.052424 2.166056
C -6.173336 0.392597 1.534670
C 0.882434 -1.050291 -0.055079
C 2.142078 -0.415203 0.597036
C 2.160189 1.117336 0.488724
C 3.455186 -1.035740 0.098678
C 2.553857 1.725561 -0.728430
C 3.565398 -1.806698 -1.083647
C 1.786371 1.928506 1.585115
C 4.620617 -0.773419 0.867892
C 2.563205 3.131460 -0.851366
C 4.823475 -2.308039 -1.490078
C 1.805901 3.336938 1.463509
C 5.871806 -1.282356 0.465112
C 2.187573 3.943298 0.244949
C 5.977774 -2.051218 -0.718310
H -4.187977 -1.661523 1.257992
H -4.219076 1.162696 -1.889632
H -4.999112 -2.632385 -0.826991
H -3.271935 -2.884592 -1.094930
H -3.356621 -1.299699 -2.893573
H -5.072915 -1.016314 -2.558695
H -4.118237 2.193937 0.452329
H -2.865253 1.223648 1.277558
H -6.189768 -0.837832 -0.328678
H -6.140008 0.930180 -0.609727
H -1.910862 -0.561632 1.438020
H -1.774597 -2.198762 0.790846
H -1.807489 0.694514 -2.383711
H -1.955727 1.474577 -0.808383
H -1.273861 -1.461753 -1.413950
H -5.129197 2.018220 2.644865
H -4.463613 0.401927 2.940567
H -6.443385 -0.535575 2.063724
H -7.049175 1.059135 1.585079
H 2.257044 -1.677434 2.178453
H 2.877297 1.104352 -1.571827
H 2.680233 -2.038850 -1.683171
H 1.511882 1.451722 2.529723
H 4.541484 -0.158496 1.771074
H 2.880396 3.593761 -1.792583
H 4.898736 -2.905557 -2.404906
H 1.536176 3.960428 2.323493
H 6.763204 -1.075268 1.066730
H 2.211594 5.034940 0.155147
H 6.949910 -2.444243 -1.034429


