%chk=000127357.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127357

0 1
 O    1.656500      -1.214800       1.181200    
 O    3.179500      0.3047000      -1.698500    
 O    4.055500      -2.267800      0.5615000    
 O    5.269300      -1.072200     -0.9985000    
 O   -5.405400      0.1540000     -1.6899999E-02
 N    1.186600      0.8899000      0.2576000    
 N  -0.2591000      -1.709700      6.5600000E-02
 N   -4.678500       2.380100     -1.7600000E-02
 C    2.259900     -6.8099998E-02  0.5581000    
 C    2.907400     -0.6623000     -0.7062000    
 C    1.139100      -2.024000      0.1289000    
 C    1.884300      -1.686600      -1.160300    
 C  -0.1844000      0.7431000      0.1749000    
 C  -0.8814000     -0.4984000      0.1111000    
 C   -1.043700       1.901700      0.1060000    
 C   -2.325000     -0.4161000      5.4099999E-02
 C    3.245200      0.4515000       1.617400    
 C    1.312100       2.280500      8.6499996E-02
 C   -1.327500      -2.591200     -2.3300000E-02
 C   2.1500001E-02   2.895600      5.6800000E-02
 C   -2.435200       1.967000      7.2499998E-02
 C   -3.092700      0.7446000      5.8499999E-02
 C   -2.561200      -1.866600     -2.0199999E-02
 C    4.223800      -1.337500     -0.4210000    
 C   -3.416400       3.090300      1.6700000E-02
 C    2.465200       3.084000     -4.2900000E-02
 C   -4.529800      0.9968000      3.1999999E-03
 C   -1.308900      -3.997400     -0.1094000    
 C  -5.1100001E-02   4.308300     -5.1100001E-02
 C   -3.756300      -2.625300     -0.1024000    
 C    2.347600       4.471700     -0.1560000    
 C    1.105200       5.080400     -0.1507000    
 C   -2.513400      -4.696100     -0.1867000    
 C   -3.722700      -4.020600     -0.1822000    
 C    5.234100      -2.989400      0.9334000    
 H    1.266300      -3.071600      0.4133000    
 H    2.344600      -2.586400      -1.586000    
 H    1.222700      -1.289100      -1.940100    
 H    3.728500     -0.3632000       2.168200    
 H    4.037300       1.069900       1.189500    
 H    2.724100       1.043000       2.380200    
 H    3.388800     -0.1614000      -2.526000    
 H   -3.384100       3.717000      0.9111000    
 H   -3.319100       3.684700     -0.8948000    
 H    3.456700       2.646500     -7.6399997E-02
 H  -0.3721000      -4.546800     -0.1186000    
 H   -1.017700       4.805400     -7.2400004E-02
 H   -4.725100      -2.138300     -0.1071000    
 H   -5.581000       2.843200     -5.5300001E-02
 H    3.244700       5.077600     -0.2523000    
 H    1.027600       6.160200     -0.2389000    
 H   -2.500900      -5.780700     -0.2523000    
 H   -4.653900      -4.577100     -0.2441000    
 H    5.991700      -2.302000       1.321600    
 H    5.621300      -3.549200      7.6800004E-02
 H    4.964300      -3.696500       1.722400    


%chk=000127357-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127357

0 1
O 1.619916 -1.200614 1.291675
O 2.938286 0.361915 -1.745868
O 4.166373 -2.500403 0.121637
O 5.268388 -0.664156 -0.792672
O -5.458418 0.112791 -0.296545
N 1.190641 0.979648 0.352717
N -0.397018 -1.842093 0.223208
N -4.590499 2.315480 -0.356249
C 2.237817 -0.035269 0.656838
C 2.818013 -0.648151 -0.715721
C 1.029837 -2.082380 0.240164
C 1.735849 -1.683790 -1.092565
C -0.187674 0.689625 0.177974
C -0.895348 -0.533252 0.142382
C -0.914397 1.916549 0.016966
C -2.322207 -0.579008 0.013902
C 3.297860 0.469853 1.642818
C 1.358122 2.387976 0.228400
C -1.476077 -2.748935 0.167937
C 0.063119 2.990205 0.044180
C -2.321244 1.876397 -0.119513
C -3.022274 0.651237 -0.109944
C -2.693878 -1.989363 0.037726
C 4.206099 -1.259611 -0.475616
C -3.304711 3.024363 -0.284463
C 2.523033 3.186807 0.234507
C -4.483428 0.921624 -0.258923
C -1.473564 -4.158001 0.211462
C -0.055719 4.393577 -0.094801
C -3.934685 -2.668729 -0.038148
C 2.381333 4.584032 0.094723
C 1.105933 5.189336 -0.062310
C -2.723423 -4.811632 0.137480
C -3.937021 -4.077840 0.014216
C 5.485960 -3.120544 0.425718
H 1.235267 -3.117998 0.546617
H 2.158395 -2.565424 -1.595958
H 1.026010 -1.193777 -1.778099
H 3.738730 -0.412529 2.134345
H 4.107010 1.028342 1.147931
H 2.840872 1.107542 2.415086
H 3.894470 0.638017 -1.800456
H -3.270408 3.726687 0.573770
H -3.106573 3.608353 -1.206906
H 3.522852 2.760235 0.323449
H -0.547617 -4.735635 0.303481
H -1.037261 4.858505 -0.235570
H -4.856393 -2.086099 -0.135592
H -5.492411 2.775619 -0.466225
H 3.279865 5.211065 0.095919
H 1.030652 6.276443 -0.170193
H -2.757217 -5.906513 0.174710
H -4.887171 -4.619662 -0.042276
H 6.058801 -2.468658 1.105485
H 6.053823 -3.269225 -0.507181
H 5.238112 -4.077634 0.903268


