%chk=000068369.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068369

0 1
 O    1.480500      -2.004300      0.7090000    
 O    4.950600      -1.191500     -0.3301000    
 O    3.332800     -0.5862000      -1.697600    
 O   -5.299100      -1.207300     -6.9300003E-02
 O   -5.395700      0.9631000     -0.4126000    
 N   0.8257000      0.2396000      0.3062000    
 N    1.448600       1.462900      0.1694000    
 N    3.839400     -0.6769000     -0.5625000    
 N   -4.748000     -8.7200001E-02 -0.1881000    
 C    3.067300     -0.1636000      0.5735000    
 C    2.719900       1.262100      0.3206000    
 C    1.718600     -0.8180000      0.5564000    
 C  -0.5522000      0.1589000      0.1842000    
 C    3.742600       2.344600      0.2623000    
 C   -1.202200      -1.074200      0.3108000    
 C   -1.308400       1.309600     -6.7100003E-02
 C   -2.589200      -1.155600      0.1877000    
 C   -2.695400       1.228300     -0.1901000    
 C   -3.335800     -4.4000000E-03 -6.2799998E-02
 H    3.593000     -0.3071000       1.518000    
 H    3.257500       3.320900      0.1809000    
 H    4.389800       2.194500     -0.6054000    
 H    4.349200       2.320000       1.171200    
 H  -0.6943000      -2.008900      0.5050000    
 H  -0.8473000       2.288200     -0.1726000    
 H   -3.054900      -2.132300      0.2928000    
 H   -3.244700       2.145900     -0.3851000    


%chk=000068369-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068369

0 1
O 1.495367 -2.102695 0.709227
O 5.296129 -0.761942 -0.267123
O 3.504950 -1.021465 -1.668023
O -5.447042 -1.168337 -0.093447
O -5.486152 1.098515 -0.358841
N 0.814740 0.160913 0.304916
N 1.455164 1.441654 0.181199
N 4.044758 -0.715320 -0.546571
N -4.862601 -0.018877 -0.175698
C 3.115806 -0.188117 0.562268
C 2.755559 1.272623 0.314259
C 1.733510 -0.886965 0.535951
C -0.601831 0.100730 0.185493
C 3.734053 2.399105 0.229442
C -1.279506 -1.147599 0.265495
C -1.328147 1.306117 -0.015822
C -2.679073 -1.182304 0.145678
C -2.725916 1.266369 -0.134978
C -3.388741 0.021806 -0.052014
H 3.653696 -0.356357 1.508622
H 3.205963 3.346676 0.041233
H 4.464306 2.231673 -0.584285
H 4.315398 2.491716 1.165624
H -0.716562 -2.069812 0.418332
H -0.788217 2.252399 -0.077909
H -3.227170 -2.126182 0.202023
H -3.310138 2.176776 -0.290351


