%chk=000041031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041031

0 1
 O    1.019800       1.931000     -0.2024000    
 N   0.1643000     -0.2445000      4.9100000E-02
 N    5.148700     -0.7720000      4.1499998E-02
 C   -3.457600     -0.9511000      0.1202000    
 C   -3.979700      0.3335000     -3.1099999E-02
 C   -1.217300     -5.2000001E-02  2.3000000E-02
 C   -2.076400      -1.143800      0.1473000    
 C   -3.120700       1.425400     -0.1553000    
 C   -1.739400       1.232500     -0.1284000    
 C   -4.358000      -2.135000      0.2549000    
 C   -5.454900      0.5647000     -6.3299999E-02
 C    1.172300      0.7225000     -6.0899999E-02
 C    2.563300      0.1998000     -2.5200000E-02
 C    3.570200       1.017800      0.4288000    
 C    2.801900      -1.086300     -0.4471000    
 C    4.848600      0.4837000      0.4428000    
 C    4.114800      -1.526300     -0.3940000    
 H   -1.666700      -2.144600      0.2647000    
 H   -3.511900       2.432500     -0.2739000    
 H   -1.141500       2.127000     -0.2306000    
 H   -3.791100      -3.066100      0.3653000    
 H   -4.993500      -2.037500       1.141000    
 H   -4.987100      -2.244200     -0.6344000    
 H   0.4401000      -1.209800      0.2058000    
 H   -5.917500      0.2357000      0.8728000    
 H   -5.696700       1.626100     -0.1872000    
 H   -5.910800      2.9899999E-02 -0.9028000    
 H    3.399400       2.032000      0.7704000    
 H    2.047500      -1.751700     -0.8477000    
 H    5.692300       1.071100      0.7901000    
 H    4.379300      -2.526900     -0.7200000    


%chk=000041031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041031

0 1
O 1.039824 2.006674 -0.063708
N 0.167130 -0.173694 0.051266
N 5.287760 -0.818738 0.029246
C -3.496120 -0.937764 0.111869
C -4.076875 0.360540 -0.035907
C -1.238210 0.066449 0.020267
C -2.091112 -1.063599 0.137614
C -3.212867 1.475810 -0.150137
C -1.807449 1.356208 -0.124055
C -4.373509 -2.170072 0.238903
C -5.583177 0.541979 -0.068479
C 1.206855 0.748439 -0.014319
C 2.595771 0.148876 -0.004418
C 3.669085 0.982591 0.396433
C 2.903541 -1.176190 -0.408704
C 4.980066 0.461238 0.404100
C 4.249246 -1.608012 -0.375548
H -1.650775 -2.064194 0.251471
H -3.650882 2.474804 -0.262048
H -1.158976 2.229289 -0.207446
H -3.770316 -3.086539 0.355417
H -5.049953 -2.097690 1.112141
H -5.018652 -2.301469 -0.651065
H 0.435002 -1.152534 0.176162
H -6.060470 0.172028 0.859760
H -5.853375 1.605222 -0.183812
H -6.045126 -0.016039 -0.906060
H 3.461840 2.017426 0.683946
H 2.138916 -1.865211 -0.786651
H 5.827445 1.080339 0.718051
H 4.517066 -2.622771 -0.690886


