%chk=000003813.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003813

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    3.728400     -0.3633000       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   -2.500800      -5.780700     -0.2524000    
 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=000003813-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003813

0 1
O 1.619915 -1.200616 1.291673
O 2.938286 0.361910 -1.745873
O 4.166374 -2.500405 0.121630
O 5.268387 -0.664150 -0.792667
O -5.458417 0.112788 -0.296552
N 1.190641 0.979646 0.352717
N -0.397018 -1.842095 0.223204
N -4.590498 2.315478 -0.356253
C 2.237817 -0.035271 0.656836
C 2.818013 -0.648153 -0.715724
C 1.029837 -2.082382 0.240162
C 1.735850 -1.683793 -1.092568
C -0.187674 0.689623 0.177972
C -0.895348 -0.533254 0.142378
C -0.914397 1.916547 0.016965
C -2.322207 -0.579010 0.013897
C 3.297859 0.469849 1.642817
C 1.358122 2.387975 0.228403
C -1.476077 -2.748937 0.167931
C 0.063119 2.990203 0.044183
C -2.321244 1.876395 -0.119516
C -3.022274 0.651235 -0.109949
C -2.693878 -1.989366 0.037718
C 4.206099 -1.259611 -0.475617
C -3.304711 3.024361 -0.284465
C 2.523033 3.186806 0.234514
C -4.483427 0.921622 -0.258929
C -1.473563 -4.158003 0.211456
C -0.055720 4.393576 -0.094795
C -3.934684 -2.668731 -0.038159
C 2.381332 4.584032 0.094734
C 1.105931 5.189335 -0.062300
C -2.723423 -4.811635 0.137470
C -3.937020 -4.077843 0.014204
C 5.485961 -3.120544 0.425714
H 1.235266 -3.118000 0.546614
H 2.158396 -2.565427 -1.595959
H 1.026011 -1.193781 -1.778103
H 3.738728 -0.412534 2.134343
H 4.107011 1.028337 1.147931
H 2.840872 1.107538 2.415085
H 3.894466 0.638027 -1.800448
H -3.270408 3.726684 0.573769
H -3.106572 3.608353 -1.206907
H 3.522852 2.760235 0.323458
H -0.547616 -4.735637 0.303476
H -1.037262 4.858504 -0.235564
H -4.856392 -2.086102 -0.135604
H -5.492410 2.775617 -0.466229
H 3.279863 5.211065 0.095932
H 1.030650 6.276442 -0.170181
H -2.757216 -5.906516 0.174700
H -4.887170 -4.619664 -0.042290
H 6.058798 -2.468658 1.105485
H 6.053828 -3.269222 -0.507184
H 5.238113 -4.077636 0.903261


