%chk=000173244.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173244

0 1
 O    3.297900      -1.837600      0.4322000    
 N   -2.982000     -0.2641000      0.1452000    
 C   -1.571500     -0.3326000      0.4391000    
 C  -0.9885000      -1.679500      1.4400000E-02
 C  -0.8225000      0.8101000     -0.2534000    
 C   0.4732000      -1.788600      0.4445000    
 C   0.6779000      0.6680000     -0.1851000    
 C    1.288100     -0.5662000      0.1044000    
 C   -3.206600     -0.3684000      -1.295000    
 C   -3.549400      0.9783000      0.6650000    
 C    2.688300     -0.6517000      0.1348000    
 C    1.480700       1.782200     -0.4736000    
 C    3.474700      0.4656000     -0.1437000    
 C    2.871200       1.681400     -0.4502000    
 C   -4.683500     -0.3386000      -1.629800    
 C   -3.413700       1.062800       2.171300    
 C    4.965600      0.3787000     -0.1204000    
 H   -1.395600     -0.2776000       1.520500    
 H   -1.002500      -1.808500      -1.074100    
 H   -1.556300      -2.511200      0.4493000    
 H   -1.073500       1.768800      0.2152000    
 H   -1.022500      0.8969000      -1.323100    
 H   0.9039000      -2.677500     -3.2000002E-02
 H   0.5205000      -1.938900       1.530500    
 H   -2.760500      0.4295000      -1.892900    
 H   -2.847300      -1.323900      -1.686600    
 H   -3.171600       1.887100      0.1837000    
 H   -4.632000      0.9835000      0.4949000    
 H    1.023500       2.737800     -0.7192000    
 H    3.467600       2.561800     -0.6743000    
 H   -5.114500      0.6643000      -1.549100    
 H   -5.258100      -1.024900     -0.9979000    
 H   -4.832400     -0.6559000      -2.668600    
 H   -3.710700      0.1290000       2.661200    
 H   -4.069900       1.852000       2.556200    
 H   -2.399100       1.322400       2.488300    
 H    5.322900     -0.3454000     -0.8601000    
 H    5.429600       1.340800     -0.3650000    
 H    5.321400      9.6400000E-02  0.8761000    
 H    4.263600      -1.756000      0.4262000    


%chk=000173244-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173244

0 1
O 3.240333 -1.869000 0.651593
N -2.987585 -0.002708 0.043019
C -1.512222 -0.109728 0.227668
C -0.977694 -1.526719 -0.081543
C -0.674100 0.926061 -0.578637
C 0.476210 -1.681211 0.415385
C 0.830423 0.739254 -0.401004
C 1.362975 -0.498310 0.049316
C -3.465587 -0.099333 -1.361372
C -3.610776 1.117437 0.795766
C 2.770268 -0.617951 0.185155
C 1.712435 1.808913 -0.699323
C 3.668846 0.438530 -0.118350
C 3.107066 1.658655 -0.563999
C -4.865762 -0.739186 -1.463514
C -3.680541 0.866288 2.315665
C 5.168625 0.256327 0.042936
H -1.323837 0.069078 1.305271
H -1.013904 -1.716690 -1.173218
H -1.630848 -2.273000 0.406077
H -0.951030 1.959056 -0.291687
H -0.926895 0.822453 -1.654638
H 0.925705 -2.611951 0.022796
H 0.481937 -1.800925 1.518840
H -3.475870 0.896843 -1.870783
H -2.755496 -0.730626 -1.925580
H -3.097754 2.093510 0.602160
H -4.643169 1.235020 0.418226
H 1.298234 2.765278 -1.040402
H 3.774428 2.496019 -0.800708
H -5.627009 -0.150322 -0.919668
H -4.850480 -1.753762 -1.028951
H -5.186998 -0.807147 -2.520360
H -4.219388 -0.075781 2.518312
H -4.211156 1.696175 2.819465
H -2.676940 0.789462 2.771534
H 5.567172 -0.556897 -0.598320
H 5.702220 1.177428 -0.244301
H 5.455960 0.032649 1.090994
H 4.228602 -1.872890 0.695081


