%chk=000146429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146429

0 1
 O  -9.6799999E-02   2.751100       2.789800    
 O   -3.964000       1.192700     -0.9050000    
 N   -1.799600      0.5684000     -0.2079000    
 N   0.3208000      0.7029000       1.843700    
 N   -1.465000      -1.652900      0.5851000    
 N    4.779900     -0.4785000       1.499600    
 C   0.4327000     -0.1521000      0.6785000    
 C    1.279200      -1.380500      0.9859000    
 C   -1.022300     -0.4563000      0.3479000    
 C    2.751600      -1.072400      0.9172000    
 C   -1.261000       1.889700     -0.4434000    
 C    3.557000      -1.177000     -0.2307000    
 C  -0.4370000       2.571100      0.4764000    
 C  -6.3400000E-02   2.024300       1.800300    
 C   -3.156400      0.3456000     -0.5296000    
 C    3.503800     -0.6463000       1.966000    
 C    4.841900     -0.7954000      0.1612000    
 C   -3.647000      -1.031400     -0.3160000    
 C   -2.782200      -1.969600      0.2444000    
 C   -1.579600       2.550100      -1.646800    
 C    3.340900      -1.555800      -1.570600    
 C   2.1900000E-02   3.870100      0.2002000    
 C    5.925900     -0.7735000     -0.7234000    
 C   -4.959600      -1.382400     -0.6541000    
 C   -3.244800      -3.272100      0.4648000    
 C   -1.109400       3.836400      -1.921400    
 C  -0.3117000       4.497400     -0.9967000    
 C    4.416100      -1.538900      -2.466600    
 C    5.687800      -1.153300      -2.047400    
 C   -5.408100      -2.683300     -0.4308000    
 C   -4.551700      -3.628200      0.1291000    
 H   0.8790000      0.4105000     -0.1499000    
 H    1.066300      -2.178200      0.2622000    
 H    1.035800      -1.797200       1.972600    
 H   0.5514000      0.3152000       2.754000    
 H    3.264300     -0.4431000       3.000400    
 H    5.563700     -0.1670000       2.056400    
 H   -2.176400       2.059100      -2.412600    
 H    2.355700      -1.857300      -1.914700    
 H   0.6484000       4.404300      0.9109000    
 H    6.916400     -0.4735000     -0.3981000    
 H   -5.644000     -0.6603000      -1.090600    
 H   -2.586100      -4.020300      0.8996000    
 H   -1.365500       4.317400      -2.860900    
 H   5.2499998E-02   5.498400      -1.207000    
 H    4.255400      -1.829500      -3.501300    
 H    6.508500      -1.147300      -2.760200    
 H   -6.425400      -2.959600     -0.6923000    
 H   -4.900000      -4.642000      0.3039000    


%chk=000146429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000146429

0 1
O 0.527678 2.697051 2.357346
O -4.007564 1.359583 -0.705177
N -1.846316 0.456444 -0.325664
N 0.555263 0.564939 1.441478
N -1.570093 -1.827971 0.424756
N 4.725160 -1.251824 1.832442
C 0.418591 -0.376341 0.309516
C 1.212377 -1.678257 0.593761
C -1.073117 -0.646650 0.112481
C 2.682860 -1.431794 0.814849
C -1.230573 1.715890 -0.733635
C 3.656298 -0.983829 -0.169428
C -0.300523 2.419759 0.084738
C 0.266418 1.918056 1.389590
C -3.299110 0.369433 -0.374973
C 3.375525 -1.584368 2.017110
C 4.928025 -0.877371 0.498818
C -3.840002 -0.955919 -0.019858
C -2.959597 -2.019506 0.348086
C -1.644072 2.273683 -1.968096
C 3.582528 -0.674118 -1.554568
C 0.156310 3.694644 -0.338748
C 6.103639 -0.467972 -0.168299
C -5.242657 -1.172227 -0.055332
C -3.498804 -3.296199 0.664162
C -1.156219 3.526697 -2.385818
C -0.262097 4.250020 -1.561918
C 4.751056 -0.267137 -2.226400
C 5.997498 -0.162190 -1.540082
C -5.764724 -2.436655 0.262725
C -4.887901 -3.500505 0.619982
H 0.826050 0.104677 -0.601644
H 1.044379 -2.356394 -0.262742
H 0.756973 -2.182443 1.464130
H 1.013347 0.228247 2.293989
H 3.008761 -1.922159 2.985493
H 5.442513 -1.279939 2.553291
H -2.365583 1.734514 -2.585854
H 2.635914 -0.759103 -2.101011
H 0.843409 4.229573 0.324219
H 7.064295 -0.389280 0.352839
H -5.889714 -0.335071 -0.336193
H -2.805723 -4.095692 0.942442
H -1.485344 3.941945 -3.344025
H 0.105030 5.233491 -1.872839
H 4.708589 -0.026394 -3.294343
H 6.888455 0.159837 -2.090496
H -6.846065 -2.606690 0.235852
H -5.301245 -4.484985 0.865149


