%chk=000149997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149997

0 1
 O   -3.909400     -0.8205000      0.4710000    
 O   0.3177000      -3.953400     -0.7013000    
 O   -2.767300      -1.619500       2.309100    
 O   -4.309100       1.627100     -0.8361000    
 N  -0.8461000      -1.957800     -0.7264000    
 N  -0.8680000     -0.6060000     -0.5887000    
 N    3.748800      -3.394100     -0.1400000    
 C    1.574400     -0.6622000     -0.1769000    
 C   -2.139500      -2.557300      -1.011400    
 C   0.2451000     -6.3000000E-03 -0.3266000    
 C    1.575300      -1.998700     -0.3154000    
 C   -2.898400      -2.924200      0.2575000    
 C   0.2996000      -2.725500     -0.5949000    
 C    2.811000      0.1055000      6.5499999E-02
 C   0.1940000       1.460000     -0.1669000    
 C    3.235300      0.3428000       1.370800    
 C    3.548800      0.5898000      -1.012100    
 C  -3.0700000E-02   2.008200       1.091000    
 C   0.3705000       2.279800      -1.276000    
 C   -3.158300      -1.733900       1.155800    
 C    4.404400       1.068500       1.599600    
 C    4.717900       1.315400     -0.7831000    
 C  -7.9300001E-02   3.394000       1.241700    
 C   0.3220000       3.665700      -1.125200    
 C    2.774900      -2.768900     -0.2185000    
 C    5.145700       1.554700      0.5227000    
 C   9.7099997E-02   4.222700      0.1336000    
 C   -4.251600      0.3644000       1.197000    
 C   -5.079300       1.269600      0.3052000    
 C   -5.045300       2.460000      -1.720800    
 H   -1.983900      -3.465000      -1.605700    
 H   -2.717300      -1.862000      -1.632400    
 H   -2.324200      -3.655500      0.8390000    
 H   -3.859800      -3.390100      1.5000000E-02
 H    2.667500     -2.9200001E-02   2.220100    
 H    3.228000      0.4113000      -2.035400    
 H  -0.1710000       1.370700       1.959800    
 H   0.5448000       1.855400      -2.261100    
 H    4.737400       1.255300       2.616400    
 H    5.294900       1.694200      -1.621600    
 H  -0.2549000       3.827800       2.221700    
 H   0.4591000       4.310900      -1.988000    
 H    6.055700       2.119900      0.7009000    
 H   5.9099998E-02   5.301800      0.2510000    
 H   -3.326000      0.8750000       1.487300    
 H   -4.823600      9.5500000E-02   2.091700    
 H   -5.979400      0.7391000     -2.6300000E-02
 H   -5.370000       2.171600      0.8546000    
 H   -4.406000       2.706400      -2.572800    
 H   -5.334600       3.389600      -1.221300    
 H   -5.933100       1.937800      -2.090300    


%chk=000149997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149997

0 1
O -4.023029 -0.493714 0.541378
O 0.196820 -3.872546 -1.289762
O -2.710518 -0.514572 2.469904
O -5.083989 1.438649 -1.446233
N -0.748814 -1.869035 -0.496558
N -0.686560 -0.561739 -0.111798
N 3.739407 -3.454345 -1.415877
C 1.748637 -0.627745 -0.409094
C -2.111604 -2.458062 -0.484558
C 0.509176 0.062559 -0.071344
C 1.649827 -1.965679 -0.831424
C -2.730060 -2.462387 0.933406
C 0.359482 -2.674596 -0.917069
C 3.080149 0.026486 -0.244082
C 0.427898 1.500605 0.327067
C 3.432713 0.623047 0.997152
C 4.025094 0.029936 -1.304172
C -0.422252 1.876169 1.401911
C 1.134727 2.507814 -0.381454
C -3.112062 -1.072031 1.422312
C 4.705951 1.202216 1.173212
C 5.291917 0.626646 -1.130659
C -0.546500 3.233387 1.769089
C 1.000381 3.864077 -0.016220
C 2.800796 -2.763923 -1.146992
C 5.638344 1.211099 0.109116
C 0.164079 4.232468 1.063265
C -4.406743 0.918674 0.813239
C -5.582470 1.260166 -0.083622
C -6.160226 1.709560 -2.396589
H -1.999729 -3.485478 -0.863732
H -2.750804 -1.873760 -1.167408
H -2.042764 -2.917528 1.664539
H -3.647780 -3.078114 0.889018
H 2.714637 0.622935 1.823644
H 3.766513 -0.422311 -2.267684
H -0.978177 1.104754 1.945820
H 1.779393 2.236587 -1.223449
H 4.969187 1.646942 2.138795
H 6.007906 0.626978 -1.959248
H -1.194666 3.508345 2.608634
H 1.546194 4.631757 -0.575525
H 6.625343 1.666324 0.246157
H 0.066834 5.285656 1.349709
H -3.538257 1.563508 0.590548
H -4.671387 1.017613 1.881757
H -6.343746 0.450317 -0.041396
H -6.052493 2.202687 0.280873
H -5.679053 1.828649 -3.379660
H -6.708966 2.641960 -2.140717
H -6.885853 0.869394 -2.441421


