%chk=000090765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090765

0 1
 O    1.617500       1.280900      -2.369800    
 O    2.361600      -2.388900       1.511600    
 N    2.873600     -0.4401000      0.3872000    
 N    1.039800       1.470000     -0.1168000    
 C    2.692600      0.4852000       1.484800    
 C    3.160400      0.3656000     -0.7816000    
 C    3.812700       1.505500       1.258000    
 C    4.109600       1.439500     -0.2489000    
 C    1.308500       1.106000       1.286000    
 C    1.840400       1.029600      -1.183800    
 C    2.594200      -1.789200      0.4608000    
 C  -0.1932000       2.197200     -0.3740000    
 C    2.595400      -2.527400     -0.8525000    
 C   -1.361400       1.267100     -0.5161000    
 C    2.311900      -3.992200     -0.6219000    
 C   -2.441200       1.314600      0.2801000    
 C   -3.617800      0.4361000      0.1698000    
 C   -3.506000     -0.7673000     -0.5087000    
 C   -4.815500      0.8287000      0.7463000    
 C   -4.620500      -1.599500     -0.6136000    
 C   -5.930100     -3.5999999E-03  0.6415000    
 C   -5.832500      -1.217700     -3.8500000E-02
 H    2.764800     -2.0999999E-03   2.461900    
 H    3.566200     -0.2067000      -1.617700    
 H    4.710800       1.204600       1.811100    
 H    3.547000       2.514900       1.587500    
 H    3.973700       2.412400     -0.7326000    
 H    5.151800       1.133900     -0.3983000    
 H   0.5381000      0.3803000       1.573800    
 H    1.188700       1.996300       1.913300    
 H  -8.8100001E-02   2.756900      -1.310600    
 H  -0.3407000       2.934400      0.4235000    
 H    1.833700      -2.096800      -1.510600    
 H    3.576600      -2.422200      -1.326300    
 H   -1.295300      0.5643000      -1.341400    
 H    2.317800      -4.532300      -1.574200    
 H    1.330700      -4.143100     -0.1588000    
 H    3.066300      -4.450700      2.6699999E-02
 H   -2.479600       2.058000       1.073300    
 H   -2.578200      -1.115000     -0.9520000    
 H   -4.907900       1.772000       1.278100    
 H   -4.543900      -2.547400      -1.138400    
 H   -6.874000      0.2935000       1.089300    
 H   -6.700000      -1.866200     -0.1190000    


%chk=000090765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090765

0 1
O 1.829475 1.454380 -2.448187
O 2.281416 -2.426654 1.472287
N 2.939331 -0.493664 0.387976
N 1.029668 1.396422 -0.246833
C 2.559245 0.428137 1.486691
C 3.255181 0.401475 -0.743230
C 3.637349 1.553115 1.387087
C 4.195143 1.450053 -0.073776
C 1.134111 0.935062 1.165685
C 1.968813 1.112469 -1.232420
C 2.724709 -1.864421 0.421465
C -0.227474 2.089304 -0.634250
C 3.071099 -2.637718 -0.859829
C -1.425511 1.164570 -0.649198
C 2.916531 -4.158262 -0.679904
C -2.545553 1.360426 0.103115
C -3.771120 0.535780 0.120076
C -3.957294 -0.601401 -0.718228
C -4.822831 0.889568 1.011957
C -5.146855 -1.353697 -0.659661
C -6.015352 0.137336 1.071068
C -6.183277 -0.989775 0.234796
H 2.551435 -0.109985 2.446680
H 3.707082 -0.114412 -1.601389
H 4.437750 1.385205 2.126555
H 3.193224 2.543068 1.589215
H 4.181078 2.412462 -0.611812
H 5.230363 1.068151 -0.076660
H 0.401355 0.124208 1.343641
H 0.870883 1.780724 1.831905
H -0.044887 2.497689 -1.646131
H -0.399465 2.932369 0.063343
H 2.415058 -2.281075 -1.679897
H 4.106978 -2.389527 -1.166802
H -1.346033 0.309798 -1.335015
H 3.136350 -4.682414 -1.627349
H 1.891320 -4.411564 -0.362353
H 3.599551 -4.535060 0.100087
H -2.561157 2.232610 0.776336
H -3.171165 -0.896881 -1.421837
H -4.698357 1.764015 1.663431
H -5.271376 -2.225052 -1.312472
H -6.810863 0.428913 1.765854
H -7.107428 -1.576647 0.276483


