%chk=000176866.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176866

0 1
 O    1.833600      -1.691600     -0.1321000    
 O   -4.416300       1.838200       1.599900    
 O   -2.284800       1.045200       1.691200    
 O    3.586400      0.1026000      0.4139000    
 O    3.478300       1.898600      -1.042900    
 N  -0.3465000     -0.8981000     -0.4675000    
 N  -0.6735000       1.412400     -0.9007000    
 C   -2.647000      1.0500000E-02 -0.9885000    
 C  -0.9174000      -2.226000     -0.1709000    
 C   -3.215200      -1.309400     -0.4834000    
 C   -2.274300      -2.444300     -0.8327000    
 C   -1.144600      0.2112000     -0.7408000    
 C   -3.470500       1.175900     -0.4346000    
 C  -0.9834000      -2.447800       1.347300    
 C    1.048400     -0.7734000     -0.3604000    
 C    1.557700      0.6080000     -0.5299000    
 C   -3.285100       1.327600       1.049100    
 C   0.6749000       1.581200     -0.7708000    
 C    2.974400      0.9659000     -0.4362000    
 C    4.986500      0.3249000      0.6119000    
 C    5.518500     -0.7117000       1.578300    
 H   -2.756800      2.3399999E-02  -2.082700    
 H  -0.2310000      -2.981800     -0.5745000    
 H   -4.190400      -1.491200     -0.9523000    
 H   -3.396900      -1.293000      0.5961000    
 H   -2.705800      -3.402600     -0.5212000    
 H   -2.148700      -2.491500      -1.922100    
 H   -3.188700       2.124900     -0.9044000    
 H   -4.531400       1.002200     -0.6529000    
 H   -1.558200      -1.666300       1.853200    
 H   -1.436900      -3.416500       1.581200    
 H   1.9900000E-02  -2.438300       1.786800    
 H    1.000800       2.610200     -0.8910000    
 H   -4.331500       1.950800       2.570600    
 H    5.508700      0.2394000     -0.3476000    
 H    5.142300       1.328800       1.022300    
 H    6.589000     -0.5714000       1.752400    
 H    4.992900     -0.6500000       2.537000    
 H    5.352400      -1.721800       1.189500    


%chk=000176866-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176866

0 1
O 1.686270 -1.818300 0.190156
O -4.376217 2.333532 1.402138
O -2.828527 0.657628 1.810967
O 3.754999 0.033612 0.416021
O 3.372488 2.144017 -0.485994
N -0.420508 -0.911384 -0.330432
N -0.721871 1.390547 -0.894908
C -2.699547 -0.035359 -1.024799
C -0.969790 -2.291170 -0.057774
C -3.284787 -1.400214 -0.601045
C -2.259797 -2.517027 -0.868385
C -1.212944 0.148014 -0.702362
C -3.520194 1.172471 -0.517225
C -1.140919 -2.479353 1.467940
C 1.037099 -0.781701 -0.116952
C 1.525533 0.582079 -0.318930
C -3.508214 1.317021 0.991415
C 0.621179 1.582154 -0.694656
C 2.946284 1.002537 -0.155998
C 5.189265 0.417013 0.604970
C 5.868290 -0.777761 1.265811
H -2.739607 0.020646 -2.134408
H -0.178864 -2.981686 -0.399825
H -4.217644 -1.584512 -1.165432
H -3.548268 -1.384426 0.470428
H -2.674231 -3.502602 -0.589530
H -2.017746 -2.558985 -1.949175
H -3.101477 2.104875 -0.937397
H -4.569537 1.100970 -0.857480
H -1.812638 -1.718502 1.898807
H -1.552651 -3.484445 1.671960
H -0.160922 -2.406305 1.967443
H 0.998761 2.598387 -0.847264
H -4.326450 2.430946 2.392090
H 5.616674 0.657910 -0.385456
H 5.227961 1.330421 1.226202
H 6.939852 -0.558654 1.426806
H 5.405063 -1.001346 2.241677
H 5.783431 -1.675848 0.631194


