%chk=000027395.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027395

0 1
 O   -1.361800      -2.371400      0.6284000    
 O    3.250900       1.932900     -0.2428000    
 N   -2.988800      -1.426900     -0.7304000    
 N    1.634700     -5.6400001E-02  -1.284700    
 N    2.942500     -0.2768000     -0.8800000    
 N    7.701200     -0.1061000      0.7613000    
 C   -4.748100      -1.408200       1.004600    
 C   -4.105700      -2.147000     -0.1670000    
 C  -0.7046000     -0.7348000      -1.031100    
 C   -5.304200     -6.0199998E-02  0.6167000    
 C   0.7272000     -0.9210000     -0.5406000    
 C   -1.691100      -1.606400     -0.2740000    
 C   -4.498400       1.075700      0.6963000    
 C   -6.623800      5.0200000E-02  0.1783000    
 C   -5.012300       2.322000      0.3375000    
 C   -7.137600       1.296400     -0.1805000    
 C   -6.331700       2.432200     -0.1008000    
 C    3.669600      0.7850000     -0.3714000    
 C    5.069100      0.4756000      2.1600001E-02
 C    6.036200       1.474600      3.8999999E-03
 C    5.416500     -0.8139000      0.4089000    
 C    7.326000       1.135300      0.3794000    
 C    6.734200      -1.050800      0.7663000    
 H   -4.017700      -1.277600       1.813700    
 H   -5.552100      -2.024900       1.425800    
 H   -3.766200      -3.134900      0.1631000    
 H   -4.830400      -2.294600     -0.9753000    
 H  -0.7768000     -0.9861000      -2.096700    
 H   -1.013000      0.3113000     -0.9098000    
 H   -3.170400     -0.7679000      -1.482000    
 H    1.018200      -1.973200     -0.6572000    
 H   0.7805000     -0.6849000      0.5298000    
 H   -3.469200       1.004900       1.038200    
 H   -7.260800     -0.8277000      0.1100000    
 H    1.589500     -0.2840000      -2.277500    
 H   -4.385100       3.206400      0.3998000    
 H   -8.164800       1.382500     -0.5224000    
 H    3.332200      -1.199400      -1.043800    
 H   -6.731700       3.402500     -0.3803000    
 H    5.807800       2.491800     -0.2954000    
 H    4.703900      -1.628300      0.4695000    
 H    8.117400       1.877600      0.3814000    
 H    7.055300      -2.037800       1.082400    


%chk=000027395-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027395

0 1
O -1.553707 -3.248606 -0.628837
O 3.052776 1.824782 -1.064114
N -3.025103 -1.452052 -0.844491
N 1.665818 -0.582462 -1.711100
N 2.929179 -0.523743 -1.091681
N 7.320242 0.469841 1.402428
C -4.645107 -1.432156 1.082439
C -4.173669 -2.130432 -0.226680
C -0.718703 -1.187593 -1.672245
C -5.090496 0.005038 0.849098
C 0.633157 -1.312043 -0.940292
C -1.789261 -2.055633 -0.998940
C -4.193835 1.088050 1.048007
C -6.399417 0.290234 0.377583
C -4.591262 2.418944 0.779856
C -6.801029 1.617963 0.109682
C -5.896411 2.687839 0.307730
C 3.523918 0.695654 -0.757319
C 4.833515 0.559315 -0.005103
C 5.779434 1.606834 -0.125325
C 5.149542 -0.525265 0.852903
C 6.997090 1.517240 0.582383
C 6.391761 -0.523687 1.528685
H -3.818104 -1.469167 1.814960
H -5.479837 -2.030671 1.494909
H -3.849887 -3.163936 -0.014857
H -5.013485 -2.168122 -0.947773
H -0.604620 -1.554020 -2.713589
H -1.013755 -0.124398 -1.728316
H -3.140109 -0.474282 -1.120611
H 0.859118 -2.392889 -0.796051
H 0.568085 -0.844631 0.058326
H -3.185662 0.888322 1.431928
H -7.109608 -0.533242 0.228609
H 1.733862 -0.861920 -2.699596
H -3.886798 3.242078 0.944493
H -7.817483 1.819616 -0.247022
H 3.432849 -1.396422 -0.882011
H -6.207534 3.718238 0.103144
H 5.545869 2.471202 -0.753909
H 4.443609 -1.342643 1.038140
H 7.751556 2.307510 0.502539
H 6.660100 -1.342987 2.205224


