%chk=000059490.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059490

0 1
 O    2.581900       1.608900     -0.2418000    
 O  -0.9075000      0.8836000     -0.6627000    
 O   0.8412000      0.9839000      -2.159000    
 N   -4.625000     -0.8853000      0.3569000    
 C   0.7708000       2.648600      0.8941000    
 C    1.744700       3.765400       1.131100    
 C   0.6649000       3.917600      0.1002000    
 C    1.246200       1.386200      0.2096000    
 C    1.265300      0.2100000       1.212300    
 C   0.3981000       1.065600      -1.019700    
 C    1.823500      -1.085100      0.6653000    
 C    3.187400      -1.357700      0.7730000    
 C   0.9745000      -2.006900      5.2499998E-02
 C   -1.803900      0.5733000      -1.734000    
 C   -3.207400      0.4033000      -1.168000    
 C    3.702000      -2.551800      0.2681000    
 C    1.489200      -3.201000     -0.4522000    
 C   -3.267200     -0.7322000     -0.1514000    
 C    2.852800      -3.473500     -0.3445000    
 C   -4.838400      -2.244700      0.8566000    
 C   -4.893000      9.1700003E-02   1.413800    
 H  -7.1999999E-03   2.475200       1.628400    
 H    1.638700       4.328300       2.052600    
 H    2.766800       3.723900      0.7807000    
 H   0.9615000       3.922400     -0.9411000    
 H  -0.1568000       4.586300      0.3276000    
 H    1.865500      0.4922000       2.089000    
 H   0.2560000      2.3200000E-02   1.604000    
 H    2.561200       2.251000     -0.9717000    
 H    3.859800     -0.6482000       1.247800    
 H  -9.0800002E-02  -1.812000     -3.3399999E-02
 H   -1.478800     -0.3485000      -2.230300    
 H   -1.798500       1.394100      -2.460200    
 H   -3.906400      0.2130000      -1.991300    
 H   -3.500300       1.348700     -0.6977000    
 H    4.763800      -2.764100      0.3519000    
 H   0.8278000      -3.919200     -0.9280000    
 H   -2.958400      -1.646500     -0.6762000    
 H   -2.546900     -0.5886000      0.6639000    
 H    3.253500      -4.403300     -0.7373000    
 H   -4.706000      -2.977500      5.2600000E-02
 H   -5.865100      -2.364900       1.220000    
 H   -4.151300      -2.496900       1.672600    
 H   -4.816000       1.119000       1.044800    
 H   -4.213100     -2.1600001E-02   2.266400    
 H   -5.919200     -2.0500001E-02   1.782500    


%chk=000059490-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059490

0 1
O 2.707784 1.781136 -0.375938
O -0.851386 0.951894 -0.646483
O 0.858146 1.144207 -2.214643
N -4.581063 -1.215645 0.275816
C 0.853380 2.893154 0.785307
C 1.845541 3.817996 1.498398
C 1.211066 4.247594 0.165144
C 1.358743 1.583141 0.157093
C 1.388982 0.449336 1.233048
C 0.447648 1.202531 -1.027251
C 1.756693 -0.924811 0.696519
C 3.089958 -1.221414 0.308139
C 0.771899 -1.938663 0.569421
C -1.803571 0.571013 -1.745511
C -3.171965 0.349515 -1.106915
C 3.426736 -2.497684 -0.194915
C 1.106622 -3.217596 0.068713
C -3.205805 -0.859199 -0.148467
C 2.436970 -3.501304 -0.316425
C -4.625078 -2.550067 0.911047
C -5.211964 -0.188561 1.131497
H -0.146207 2.798333 1.223568
H 1.521540 4.310176 2.420079
H 2.900310 3.532763 1.460579
H 1.868561 4.241787 -0.708298
H 0.449434 5.032376 0.171786
H 2.122609 0.785176 1.989104
H 0.396632 0.417018 1.718174
H 2.666953 1.605780 -1.357903
H 3.853208 -0.441762 0.399200
H -0.260931 -1.723899 0.871529
H -1.407181 -0.338619 -2.232969
H -1.812190 1.391939 -2.484375
H -3.904991 0.168892 -1.917221
H -3.476400 1.277655 -0.589329
H 4.460636 -2.711355 -0.489698
H 0.334766 -3.991576 -0.015515
H -2.784989 -1.736747 -0.678603
H -2.538325 -0.655633 0.729018
H 2.700264 -4.492704 -0.702344
H -4.228330 -3.308629 0.212827
H -5.671641 -2.815678 1.144145
H -4.034604 -2.610564 1.861173
H -5.291393 0.769999 0.591571
H -4.651354 -0.006310 2.084609
H -6.235812 -0.509592 1.393096


