%chk=000173424.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173424

0 1
 O    2.479500       1.486900     -0.4637000    
 O    3.191000      -2.357700      0.7802000    
 N   -4.895300      9.7499996E-02 -0.2877000    
 C   -4.974900       1.088500       1.956400    
 C   -5.460100       1.179900      0.5172000    
 C   -3.456500       1.182300       1.993800    
 C   -2.826900      0.2267000       1.009300    
 C   -3.560800     -0.2655000     -9.7599998E-02
 C   -5.635200     -0.3310000      -1.466000    
 C   -1.479600     -0.1284000       1.196800    
 C   -2.888800      -1.145800     -0.9683000    
 C  -0.8463000     -0.9937000      0.3122000    
 C   -1.552100      -1.505000     -0.7682000    
 C   -5.341700      0.5557000      -2.658400    
 C   0.5454000      -1.361200      0.5175000    
 C    1.614600     -0.7339000      1.2800000E-02
 C    1.554000      0.4718000     -0.8686000    
 C    2.973900      -1.244300      0.3236000    
 C    4.066200     -0.2915000      3.6699999E-02
 C    3.762700       1.024500     -0.3274000    
 C    5.398400     -0.6896000      0.1809000    
 C    4.790000       1.949400     -0.5191000    
 C    6.422700      0.2335000     -3.3599999E-02
 C    6.119500       1.550800     -0.3789000    
 H   -5.300400      0.1367000       2.396000    
 H   -5.413800       1.891900       2.558100    
 H   -6.555100       1.128200      0.5116000    
 H   -5.179900       2.146900      8.1299998E-02
 H   -3.137300       2.201100       1.742200    
 H   -3.111600      0.9627000       3.011000    
 H   -5.463400      -1.386600      -1.703000    
 H   -6.710900     -0.2729000      -1.255300    
 H  -0.9333000      0.2790000       2.045800    
 H   -3.377900      -1.576300      -1.837400    
 H   -1.078400      -2.185000      -1.472700    
 H   -5.930500      0.2332000      -3.523100    
 H   -4.285200      0.5252000      -2.941600    
 H   -5.598200       1.599400      -2.448400    
 H   0.6741000      -2.233300       1.155600    
 H    1.767800      0.1932000      -1.908900    
 H   0.5662000      0.9423000     -0.8671000    
 H    5.656500      -1.705900      0.4650000    
 H    4.563700       2.978500     -0.7848000    
 H    7.459200     -7.2099999E-02  7.7500001E-02
 H    6.920000       2.267900     -0.5362000    


%chk=000173424-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173424

0 1
O 3.034186 0.832200 -1.744039
O 3.085817 -0.719114 2.163801
N -5.007385 0.050035 -0.361421
C -5.553129 -0.059123 2.067715
C -5.974412 0.460049 0.681495
C -4.142207 0.462455 2.405432
C -3.162434 0.166872 1.276004
C -3.640106 -0.013044 -0.073379
C -5.513950 -0.040988 -1.744950
C -1.790532 0.058153 1.536489
C -2.671865 -0.289728 -1.091786
C -0.807800 -0.184106 0.525121
C -1.303445 -0.371480 -0.802094
C -5.403662 1.280673 -2.543400
C 0.588984 -0.252102 0.929953
C 1.760447 -0.163973 0.202844
C 1.831589 0.083468 -1.290895
C 3.043543 -0.362839 0.936449
C 4.291785 -0.097200 0.170242
C 4.241269 0.512543 -1.115606
C 5.561636 -0.363714 0.747700
C 5.428034 0.871784 -1.797270
C 6.747471 -0.029902 0.071054
C 6.674700 0.596844 -1.202459
H -5.559394 -1.165065 2.060259
H -6.286019 0.279184 2.822847
H -6.964359 0.052104 0.404856
H -6.071877 1.568150 0.715234
H -4.194312 1.557241 2.579933
H -3.775960 0.014132 3.347054
H -4.985264 -0.852699 -2.277917
H -6.574745 -0.348820 -1.689183
H -1.447272 0.179299 2.572929
H -2.991568 -0.451013 -2.124806
H -0.623380 -0.637065 -1.616179
H -5.794551 1.145243 -3.568722
H -4.354211 1.615424 -2.615495
H -5.986222 2.084953 -2.059533
H 0.762048 -0.400797 2.007714
H 1.827496 -0.873904 -1.856828
H 0.991291 0.705073 -1.638821
H 5.574227 -0.820591 1.742973
H 5.350544 1.351449 -2.777616
H 7.721582 -0.242931 0.523014
H 7.594712 0.866872 -1.733212


