%chk=000041268.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041268

0 1
 O   -3.686400       1.081800      -2.184400    
 O    4.031200      -1.127100      -1.427000    
 O    5.062000      0.7658000      0.3251000    
 N   -1.333200       1.381200      0.1636000    
 N   -3.123800     -0.8883000      -1.172500    
 C  -0.5720000      0.1865000     -0.2784000    
 C   -2.799700       1.236200      7.4299999E-02
 C  -0.9076000       1.777400       1.518300    
 C   0.9386000      0.3560000     -0.1212000    
 C   0.5501000       2.242500       1.508500    
 C    1.464400       1.310700      0.7640000    
 C   -1.133300      -1.135100      0.2595000    
 C   -3.483300       2.612700      7.9300001E-02
 C   -3.211900      0.4951000      -1.209600    
 C   -2.331000      -1.645000     -0.2844000    
 C    1.819400     -0.4566000     -0.8560000    
 C    2.853400       1.441500      0.9008000    
 C  -0.4615000      -1.905100       1.223200    
 C   -4.989600       2.471300      7.9200000E-02
 C    3.199400     -0.3245000     -0.7064000    
 C    3.715900      0.6231000      0.1728000    
 C   -2.754500      -2.943300      2.1700000E-02
 C  -0.9207000      -3.177900       1.568500    
 C   -2.052500      -3.704500      0.9530000    
 C    4.409300      -2.368000     -0.8340000    
 C    5.717300       1.693500     -0.5377000    
 H  -0.6848000      0.1509000      -1.373000    
 H   -3.179700      0.6609000      0.9307000    
 H   -1.035100      0.9469000       2.225000    
 H   -1.498600       2.607800       1.914700    
 H   0.8929000       2.348900       2.544700    
 H   0.6120000       3.230000       1.033400    
 H   -3.172000       3.210900     -0.7865000    
 H   -3.214800       3.190000      0.9689000    
 H    1.424000      -1.198700      -1.546200    
 H   -3.692500      -1.408700      -1.835300    
 H    3.262700       2.189900       1.575800    
 H   0.4430000      -1.541500       1.703000    
 H   -5.394900       2.059200     -0.8474000    
 H   -5.327400       1.841600      0.9092000    
 H   -5.450100       3.457000      0.2101000    
 H   -3.654500      -3.354900     -0.4287000    
 H  -0.3808000      -3.766100       2.305000    
 H   -2.396700      -4.701900       1.209900    
 H    3.527700      -2.991700     -0.6551000    
 H    4.946700      -2.198600      0.1044000    
 H    5.073200      -2.891000      -1.527700    
 H    6.784400       1.687600     -0.2997000    
 H    5.328800       2.704500     -0.3795000    
 H    5.590700       1.401500      -1.585000    


%chk=000041268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041268

0 1
O -3.800649 1.068402 -2.302097
O 4.032846 -1.074393 -1.515372
O 5.071092 0.833557 0.455010
N -1.390529 1.350981 0.189386
N -3.098442 -0.888574 -1.300257
C -0.619652 0.185966 -0.354650
C -2.876604 1.247314 0.000399
C -1.011077 1.621018 1.602283
C 0.879064 0.376552 -0.127964
C 0.427424 2.163510 1.640678
C 1.378908 1.294487 0.832249
C -1.146671 -1.162943 0.182231
C -3.525059 2.652102 -0.000262
C -3.261949 0.502169 -1.307570
C -2.382274 -1.655436 -0.331210
C 1.787273 -0.404109 -0.882588
C 2.780179 1.426553 0.992553
C -0.473616 -1.935707 1.157831
C -5.047519 2.617259 0.250396
C 3.178218 -0.283567 -0.708950
C 3.683829 0.665470 0.227652
C -2.887562 -2.914051 0.076311
C -0.984059 -3.181440 1.586756
C -2.185011 -3.679602 1.030299
C 4.860912 -2.044676 -0.762266
C 5.827082 1.348582 -0.711249
H -0.793433 0.189318 -1.448926
H -3.322368 0.639720 0.830546
H -1.099587 0.704854 2.235931
H -1.701281 2.372338 2.020148
H 0.775360 2.243399 2.688928
H 0.426720 3.187199 1.217622
H -3.315224 3.122001 -0.976742
H -3.033577 3.272324 0.771867
H 1.424025 -1.134133 -1.614632
H -3.534442 -1.374807 -2.090548
H 3.194885 2.140804 1.713004
H 0.480519 -1.572700 1.554948
H -5.564505 2.059137 -0.549570
H -5.288267 2.141941 1.221160
H -5.463682 3.640784 0.265144
H -3.834335 -3.278045 -0.339990
H -0.442783 -3.765808 2.338501
H -2.579020 -4.651998 1.345234
H 4.213143 -2.793914 -0.268042
H 5.483988 -1.531823 -0.007253
H 5.494037 -2.537021 -1.516128
H 6.878876 1.378087 -0.388179
H 5.482251 2.368843 -0.965756
H 5.706749 0.684474 -1.585963


