%chk=000050882.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050882

0 1
 O   0.9474000       1.490900      0.1605000    
 O    1.254300      0.7748000      -2.005700    
 N   -2.193700      2.7200000E-02  0.3329000    
 N    5.062800     -0.5701000     -0.7333000    
 C   -3.454100      0.6730000     -9.6699998E-02
 C   -2.338100      -1.419500      0.6036000    
 C   -4.014000     -2.9500000E-02  -1.345100    
 C   -2.897300      -2.144900     -0.6359000    
 C   -4.196500      -1.525400      -1.131500    
 C   -1.557000      0.7603000       1.427600    
 C   -4.528800      0.7946000      0.9962000    
 C   -1.009100      -2.090500      0.9848000    
 C   -1.197400       2.173400      0.9799000    
 C  -0.2507000       2.157600     -0.2127000    
 C    1.603700      0.8358000     -0.8371000    
 C    2.832500      0.1828000     -0.3194000    
 C    2.879800     -0.2522000      0.9832000    
 C    3.914800      1.5799999E-02  -1.141300    
 C    4.044000     -0.8601000       1.439800    
 C    5.097500     -0.9940000      0.5500000    
 H   -3.248000       1.688500     -0.4506000    
 H   -3.031500      -1.575900       1.439800    
 H   -3.323200      0.1271000      -2.184600    
 H   -4.969300      0.4192000      -1.642900    
 H   -3.073400      -3.202500     -0.4043000    
 H   -2.156600      -2.119000      -1.446700    
 H   -4.997200      -1.710100     -0.4062000    
 H   -4.502000      -2.001600      -2.069900    
 H   -2.184100      0.7905000       2.325600    
 H  -0.6227000      0.2831000       1.737400    
 H   -4.212800       1.463800       1.802100    
 H   -5.447900       1.221000      0.5781000    
 H   -4.791200     -0.1706000       1.438700    
 H  -0.6779000      -1.802700       1.987400    
 H   -1.116100      -3.181300      0.9971000    
 H  -0.2163000      -1.844100      0.2696000    
 H   -2.071700       2.798900      0.7793000    
 H  -0.6806000       2.654300       1.821500    
 H   9.8999999E-03   3.189300     -0.4744000    
 H  -0.7303000       1.704200      -1.087200    
 H    2.040400     -0.1508000       1.663900    
 H    3.918100      0.3477000      -2.174000    
 H    4.123200      -1.220700       2.458900    
 H    6.027100      -1.462100      0.8565000    


%chk=000050882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050882

0 1
O 1.005422 1.271982 0.129672
O 1.861706 1.369701 -2.038299
N -2.422549 0.054920 0.388200
N 5.333523 -0.727813 -0.729333
C -3.735049 0.665640 -0.003972
C -2.489061 -1.427271 0.604360
C -4.245947 0.005853 -1.308533
C -3.013319 -2.106201 -0.688800
C -4.360219 -1.525859 -1.165660
C -1.687515 0.836213 1.411121
C -4.819091 0.653814 1.116351
C -1.114456 -2.032434 0.966328
C -1.131302 2.175438 0.864051
C -0.218775 1.993585 -0.346128
C 1.973069 1.012128 -0.839551
C 3.139353 0.269326 -0.275840
C 3.213882 -0.133716 1.081492
C 4.222549 -0.051025 -1.137356
C 4.357338 -0.835258 1.517088
C 5.385294 -1.108760 0.583854
H -3.527025 1.727599 -0.240238
H -3.199893 -1.677710 1.434318
H -3.528527 0.238184 -2.119670
H -5.221639 0.449500 -1.586679
H -3.106577 -3.194279 -0.504362
H -2.249167 -1.965358 -1.479775
H -5.159871 -1.785519 -0.443269
H -4.651241 -1.979302 -2.132370
H -2.300101 1.053325 2.320432
H -0.824722 0.241128 1.747318
H -4.458262 1.152840 2.034325
H -5.719095 1.196995 0.773600
H -5.128445 -0.370407 1.388426
H -0.795961 -1.806202 1.999213
H -1.168167 -3.132786 0.877375
H -0.337595 -1.667923 0.268922
H -1.953847 2.854581 0.567041
H -0.578280 2.687578 1.675045
H 0.099901 2.953828 -0.789632
H -0.702569 1.370851 -1.118553
H 2.392484 0.104576 1.762671
H 4.184893 0.251867 -2.189142
H 4.456376 -1.165744 2.555555
H 6.288476 -1.651687 0.885306


