%chk=000101834.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101834

1 1
 O    5.214200      -2.389000      0.8276000    
 O    5.123800      -1.720900      -1.338400    
 N    5.744800      0.8604000      8.5600004E-02
 C    4.647400     -0.1056000      0.4121000    
 C    3.357100      0.4388000     -0.2068000    
 C    2.063400     -0.1131000      0.4055000    
 C   0.7996000      0.4965000     -0.2075000    
 C    5.677600       2.074500       1.014200    
 C    5.614100       1.343400      -1.360200    
 C    7.110000      0.1907000      0.2554000    
 C  -0.4936000     -5.4299999E-02  0.4017000    
 C   -1.757700      0.4915000     -0.2680000    
 C    5.019400      -1.463300     -0.1458000    
 C   -3.018700     -8.1900001E-02  0.3835000    
 C   -4.316000      0.4089000     -0.2664000    
 C   -5.613600     -0.1152000      0.3575000    
 C   -6.908700      0.3315000     -0.3271000    
 C   -8.167800     -0.2613000      0.3086000    
 C   -9.422000      0.1428000     -0.4675000    
 C   -10.67350     -0.4745000      0.1358000    
 H    4.569600     -0.1674000       1.504600    
 H    3.272200       1.524000     -9.4800003E-02
 H    3.311500      0.2185000      -1.281400    
 H    2.039700      -1.202100      0.2773000    
 H    2.066500      7.9499997E-02   1.485400    
 H   0.8206000       1.585700     -7.9400003E-02
 H   0.7982000      0.3042000      -1.287500    
 H    6.499700       2.749100      0.7545000    
 H    5.791900       1.725100       2.044800    
 H    4.726200       2.594400      0.8893000    
 H    5.530100      0.4990000      -2.045400    
 H    6.531800       1.892900      -1.600800    
 H    4.781000       2.043000      -1.465600    
 H    7.878700      0.9679000      0.1888000    
 H    7.279600     -0.5326000     -0.5466000    
 H    7.149300     -0.2780000       1.243400    
 H  -0.4892000      -1.148500      0.3217000    
 H  -0.5148000      0.1851000       1.472000    
 H   -1.746800      0.2378000      -1.334700    
 H   -1.770600       1.585400     -0.1947000    
 H   -3.030500      0.1850000       1.447500    
 H   -2.989200      -1.177300      0.3324000    
 H   -4.302200      0.1304000      -1.327800    
 H   -4.334200       1.505600     -0.2357000    
 H   -5.645700      0.1925000       1.410200    
 H   -5.578000      -1.212000      0.3577000    
 H   -6.968600       1.426500     -0.3027000    
 H   -6.865600      4.0600002E-02  -1.384000    
 H   -8.248000      7.5900003E-02   1.349000    
 H   -8.086400      -1.354900      0.3283000    
 H    5.448900      -3.266000      0.4562000    
 H   -9.522300       1.234400     -0.4696000    
 H   -9.333600     -0.1771000      -1.512300    
 H   -10.80930     -0.1512000       1.172800    
 H   -10.61840      -1.567600      0.1207000    
 H   -11.55790     -0.1711000     -0.4333000    


%chk=000101834-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000101834

1 1
O 4.597542 -2.238344 0.981185
O 5.166603 -1.731860 -1.220493
N 5.934030 0.924290 0.051959
C 4.648061 0.081162 0.389488
C 3.348607 0.643558 -0.234772
C 2.088083 -0.076785 0.315691
C 0.787650 0.542401 -0.246456
C 5.871981 2.243328 0.824642
C 6.057418 1.220765 -1.447252
C 7.180990 0.162238 0.516708
C -0.483730 -0.153500 0.290588
C -1.788086 0.450246 -0.277556
C 4.850112 -1.373816 -0.066021
C -3.061649 -0.228089 0.275990
C -4.367123 0.366890 -0.298286
C -5.641728 -0.297223 0.269688
C -6.947734 0.292425 -0.309144
C -8.223121 -0.363817 0.266414
C -9.529241 0.223205 -0.316243
C -10.798278 -0.435505 0.266376
H 4.581262 0.094625 1.491122
H 3.249951 1.721026 -0.002542
H 3.377061 0.531040 -1.334058
H 2.116904 -1.152307 0.053427
H 2.075621 -0.020597 1.422866
H 0.748357 1.621482 0.010691
H 0.797103 0.481709 -1.354282
H 6.760475 2.840427 0.567851
H 5.865226 2.030893 1.904811
H 4.965719 2.796905 0.544434
H 5.983977 0.274169 -2.001660
H 7.033709 1.699507 -1.620437
H 5.251131 1.903869 -1.748572
H 8.050559 0.832675 0.442110
H 7.333659 -0.712429 -0.131079
H 7.041180 -0.154614 1.561844
H -0.445290 -1.234926 0.044291
H -0.501741 -0.084906 1.398128
H -1.781074 0.367018 -1.384337
H -1.823410 1.535328 -0.046225
H -3.074725 -0.137087 1.382269
H -3.026883 -1.315047 0.053369
H -4.362887 0.264452 -1.403693
H -4.398260 1.456369 -0.087202
H -5.650317 -0.189002 1.374576
H -5.610997 -1.387924 0.064824
H -6.977083 1.384301 -0.110068
H -6.944333 0.178223 -1.413518
H -8.231357 -0.245985 1.370381
H -8.195692 -1.456426 0.071155
H 4.638597 -3.192309 0.691712
H -9.555762 1.315079 -0.122601
H -9.522248 0.103415 -1.418991
H -10.846948 -0.301783 1.363615
H -10.811144 -1.522608 0.060780
H -11.716728 0.000467 -0.167398


