%chk=000068050.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068050

0 1
 O   1.1400000E-02 -3.5599999E-02   2.396700    
 N    5.535200     -0.3951000     -0.5685000    
 N   -3.093100      -4.474300     -0.6038000    
 N   -2.516900       4.860900     -0.5486000    
 C   6.0199998E-02  7.4999998E-03  0.9340000    
 C    1.494800     -9.7999997E-02  0.5404000    
 C  -0.8070000      -1.225200      0.5109000    
 C  -0.6492000       1.343400      0.5259000    
 C    1.853500     -0.8132000     -0.6021000    
 C  -0.9028000      -2.252700       1.395600    
 C   9.6000001E-02   2.265800     -0.1372000    
 C    2.477800      0.5182000       1.314900    
 C   -1.401700      -1.179400     -0.7106000    
 C   -1.957700       1.482000      0.8654000    
 C    4.178300     -0.2959000     -0.1959000    
 C   -2.311100      -3.363800     -0.2228000    
 C   -1.878000       3.658300     -0.1808000    
 C    3.195300     -0.9121000     -0.9703000    
 C   -1.675300      -3.351300       1.018700    
 C  -0.5354000       3.455500     -0.5004000    
 C    3.819600      0.4194000      0.9466000    
 C   -2.174300      -2.277900      -1.087400    
 C   -2.589100       2.671600      0.5021000    
 C    5.905500     -0.5233000      -1.963800    
 C    6.577200     -0.3562000      0.4381000    
 C   -3.780600      -5.265700      0.3970000    
 C   -3.230300      -4.830000      -2.002100    
 C   -1.787200       5.892000      -1.259000    
 C   -3.915200       5.075100     -0.2331000    
 H    1.133600      -1.300500      -1.248300    
 H  -0.3990000      -2.289800       2.354500    
 H    1.133300       2.153500     -0.4219000    
 H    2.225800       1.094100       2.201300    
 H   -1.292300     -0.3564000      -1.407800    
 H   -2.518400      0.7321000       1.412400    
 H  -0.2043000      0.8463000       2.743300    
 H    3.442100      -1.483300      -1.860700    
 H   -1.747100      -4.188500       1.707400    
 H   5.9099998E-02   4.190900      -1.033300    
 H    4.558300      0.9237000       1.563000    
 H   -2.661300      -2.252400      -2.058100    
 H   -3.633200       2.783100      0.7774000    
 H    5.315100      0.1469000      -2.598800    
 H    6.957400     -0.2587000      -2.119800    
 H    5.771500      -1.554300      -2.307800    
 H    7.515100     -0.7709000      5.1800001E-02
 H    6.308800     -0.9527000       1.317300    
 H    6.777000      0.6742000      0.7504000    
 H   -4.585400      -5.858600     -5.1899999E-02
 H   -4.245300      -4.631200       1.160300    
 H   -3.089700      -5.963200      0.8820000    
 H   -3.967700      -4.188100      -2.495500    
 H   -3.568300      -5.866400      -2.114600    
 H   -2.274200      -4.752400      -2.532000    
 H   -2.417600       6.763700      -1.467300    
 H  -0.9395000       6.256200     -0.6678000    
 H   -1.429600       5.527200      -2.228300    
 H   -4.083800       5.058900      0.8494000    
 H   -4.549700       4.323100     -0.7154000    
 H   -4.265300       6.051100     -0.5876000    


%chk=000068050-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068050

0 1
O 0.125581 0.236692 2.494536
N 5.522383 -0.533195 -0.989717
N -3.018381 -4.652804 -0.149598
N -2.663702 5.043605 -0.620975
C 0.079316 0.151826 0.991478
C 1.525742 0.038857 0.464382
C -0.709517 -1.138815 0.704115
C -0.644808 1.416708 0.480585
C 1.928561 0.542172 -0.796462
C -1.638538 -1.651507 1.641522
C -0.000541 2.681200 0.563191
C 2.490254 -0.674262 1.220085
C -0.575049 -1.825310 -0.526556
C -1.983048 1.405411 0.019552
C 4.214637 -0.349314 -0.517533
C -2.266520 -3.501070 0.128833
C -2.004731 3.860969 -0.258789
C 3.237992 0.359207 -1.284673
C -2.398010 -2.806784 1.372326
C -0.652049 3.876191 0.210025
C 3.803276 -0.863801 0.753977
C -1.331565 -2.976252 -0.818525
C -2.652082 2.588842 -0.346836
C 5.907599 -0.006875 -2.302378
C 6.490790 -1.290516 -0.190535
C -3.954077 -5.176355 0.849796
C -2.842765 -5.349932 -1.426553
C -1.975403 6.333117 -0.503973
C -4.053734 4.994150 -1.086020
H 1.208076 1.094490 -1.410763
H -1.746324 -1.139155 2.601633
H 1.045620 2.733362 0.891972
H 2.192310 -1.081986 2.191679
H 0.144843 -1.466827 -1.270477
H -2.514029 0.451124 -0.056853
H 0.467752 1.139849 2.720855
H 3.495984 0.769435 -2.265420
H -3.093310 -3.167802 2.136066
H -0.105667 4.820181 0.292418
H 4.509445 -1.418094 1.379366
H -1.183905 -3.470092 -1.783457
H -3.684624 2.519400 -0.701001
H 5.777583 1.093740 -2.358750
H 6.970026 -0.230235 -2.490620
H 5.313118 -0.458937 -3.124312
H 7.454028 -1.332042 -0.724007
H 6.156102 -2.333444 -0.009931
H 6.670467 -0.818478 0.797624
H -4.449505 -6.077054 0.452707
H -4.743459 -4.438519 1.103800
H -3.440506 -5.457688 1.793097
H -3.091026 -4.699354 -2.291047
H -3.509949 -6.226240 -1.461965
H -1.801358 -5.709544 -1.564337
H -2.647496 7.139269 -0.839000
H -1.676688 6.552143 0.542568
H -1.060920 6.371681 -1.131451
H -4.735228 4.578006 -0.315026
H -4.160798 4.375141 -2.000675
H -4.396874 6.013115 -1.326475


