%chk=000046640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046640

0 1
 O    2.433800      0.5053000       1.236800    
 O   -3.646000      -1.402900      9.2000002E-03
 N    4.967000      0.6120000      0.1486000    
 N    1.886900      -1.183700     -0.2995000    
 C    4.187300     -0.6184000      1.8600000E-02
 C    4.425600       1.654600     -0.7223000    
 C    6.373000      0.3616000     -0.1667000    
 C    2.745200     -0.3465000      0.4105000    
 C    5.224200       2.941300     -0.6000000    
 C    6.969200     -0.6760000      0.7693000    
 C   0.4750000      -1.240300     -0.2206000    
 C  -0.1893000     -0.3873000      0.6449000    
 C  -0.2122000      -2.146100      -1.011300    
 C   -2.288400      -1.348300     -6.7599997E-02
 C   -1.581100     -0.4417000      0.7221000    
 C   -1.603800      -2.200400     -0.9343000    
 C   -4.339600     -0.2042000      9.4999997E-03
 C   -3.986100      0.7789000     -0.8970000    
 C   -5.367300     -2.1100000E-02  0.9168000    
 C   -4.684200       1.986400     -0.8959000    
 C   -6.065400       1.186500      0.9177000    
 C   -5.723800       2.190200      1.1300000E-02
 H    4.519500      -1.394300      0.7165000    
 H    4.249100      -1.020500      -1.000300    
 H    4.416600       1.336000      -1.772900    
 H    3.394400       1.910900     -0.4611000    
 H    6.974600       1.263100     -1.3900000E-02
 H    6.510600      4.4700000E-02  -1.208200    
 H    4.667500       3.761500      -1.067600    
 H    6.187300       2.890100      -1.117400    
 H    5.391900       3.219200      0.4463000    
 H    8.060500     -0.6779000      0.6676000    
 H    6.633900      -1.691400      0.5369000    
 H    6.740200     -0.4565000       1.817800    
 H    2.303600      -1.845000     -0.9512000    
 H   0.2851000      0.3360000       1.291100    
 H   0.3109000      -2.814000      -1.689900    
 H   -2.087100      0.2169000       1.423200    
 H   -2.149600      -2.908600      -1.551900    
 H   -3.196700      0.6359000      -1.628900    
 H   -5.633800     -0.8014000       1.623200    
 H   -4.422000       2.766100      -1.605100    
 H   -6.875000       1.345300       1.624100    
 H   -6.268200       3.130000      1.1100000E-02


%chk=000046640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000046640

0 1
O 2.592605 0.612026 1.126802
O -3.701624 -1.205315 -0.217803
N 5.274065 0.449875 -0.094370
N 1.955628 -1.010169 -0.447483
C 4.352200 -0.687601 -0.038367
C 4.978929 1.380002 -1.215709
C 6.700299 0.049318 -0.001666
C 2.895767 -0.270152 0.275864
C 5.534021 2.797967 -0.984849
C 7.097041 -0.482840 1.389042
C 0.534251 -0.985993 -0.352338
C -0.170171 -0.133118 0.540113
C -0.196921 -1.867997 -1.193585
C -2.293705 -1.043426 -0.268363
C -1.578986 -0.169495 0.581971
C -1.602844 -1.896945 -1.155762
C -4.561578 -0.102699 0.019870
C -4.277742 1.210978 -0.422318
C -5.786983 -0.409636 0.652158
C -5.238141 2.225839 -0.211678
C -6.737705 0.614554 0.851299
C -6.467505 1.936822 0.425295
H 4.669369 -1.359976 0.781007
H 4.366777 -1.307531 -0.980336
H 5.353018 0.975589 -2.192518
H 3.879223 1.455114 -1.301436
H 7.306594 0.947278 -0.213463
H 6.968102 -0.705949 -0.787207
H 5.214543 3.469349 -1.803393
H 6.638127 2.820521 -0.951024
H 5.149658 3.194407 -0.029846
H 8.188987 -0.650653 1.434220
H 6.608809 -1.444042 1.632914
H 6.817719 0.249787 2.165387
H 2.340121 -1.665099 -1.133762
H 0.391281 0.539212 1.191051
H 0.335042 -2.535874 -1.883295
H -2.114219 0.476436 1.284829
H -2.174351 -2.573911 -1.797011
H -3.334409 1.435105 -0.929729
H -5.974175 -1.438687 0.973206
H -5.023674 3.244159 -0.554680
H -7.688303 0.379003 1.342380
H -7.205839 2.729769 0.584087


