%chk=000145699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145699

0 1
 O   -2.977300     -0.7411000     -0.4842000    
 O    3.152900       1.935300     -0.4631000    
 O    2.663100      -2.826700     -0.1894000    
 O   4.0100001E-02  -2.410800      0.3228000    
 O   -4.574900      -1.907400      0.6936000    
 N   0.2390000       2.113100      0.1166000    
 N   -4.662200      -1.735700      -1.597700    
 C   -1.049100       1.757800      0.3965000    
 C   0.4267000       3.547800      1.9500000E-02
 C   -1.910100       2.949300      0.5337000    
 C   -1.022600       4.053600     -9.2299998E-02
 C    1.032200       1.027600     -8.6000003E-03
 C   -1.109700      0.3905000      0.4579000    
 C   0.2185000     -7.2899997E-02  0.1991000    
 C    2.436100      0.9539000     -0.2924000    
 C   -2.307600     -0.4236000      0.7363000    
 C   0.7350000      -1.417900      0.1421000    
 C    3.004700     -0.4465000     -0.3672000    
 C    2.206900      -1.521400     -0.1570000    
 C    4.473100     -0.4929000     -0.6947000    
 C   -4.109400      -1.496200     -0.3640000    
 C    3.094600      -3.235800       1.092500    
 H    1.027000       3.784300     -0.8618000    
 H   0.9147000       3.881900      0.9395000    
 H   -2.860700       2.852100      2.4999999E-03
 H   -2.104700       3.162600       1.589700    
 H   -1.283900       4.165200      -1.153000    
 H   -1.166200       5.028100      0.3840000    
 H   -2.043000      -1.346000       1.264500    
 H   -2.995000      0.1394000       1.380600    
 H    4.839400      -1.519600     -0.7920000    
 H    5.055900     -5.1000002E-03  9.3300000E-02
 H    4.670700      1.4500000E-02  -1.644800    
 H    3.440800      -4.271300       1.020400    
 H    2.277200      -3.206100       1.821400    
 H    3.933100      -2.626700       1.447700    
 H   -4.239100      -1.373300      -2.445500    
 H   -5.510600      -2.282400      -1.699500    


%chk=000145699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145699

0 1
O -2.803310 -1.405382 0.052927
O 2.983551 2.207011 -0.630934
O 3.305798 -2.486854 0.164320
O 0.502393 -2.479685 0.999208
O -4.212877 0.464039 -0.276735
N 0.092338 2.078933 0.146414
N -4.280285 -1.422881 -1.667667
C -1.150802 1.603571 0.559152
C 0.120956 3.537966 -0.099357
C -2.134975 2.742427 0.634575
C -1.402226 3.877523 -0.164474
C 1.009294 1.046209 0.102377
C -1.050376 0.214890 0.782583
C 0.326595 -0.129340 0.492720
C 2.420544 1.108570 -0.277390
C -2.150624 -0.705510 1.216429
C 1.042998 -1.400562 0.580909
C 3.150842 -0.183524 -0.231597
C 2.505238 -1.352293 0.161402
C 4.608400 -0.192137 -0.621269
C -3.804651 -0.681139 -0.608484
C 2.820024 -3.851519 0.471824
H 0.675369 3.762912 -1.023230
H 0.637195 4.042932 0.737902
H -3.110531 2.464605 0.205387
H -2.306843 3.043149 1.686924
H -1.736979 3.858706 -1.216392
H -1.612755 4.880440 0.241152
H -1.758624 -1.547584 1.803817
H -2.937360 -0.160288 1.765022
H 5.241538 -0.540382 0.215812
H 4.919562 0.822893 -0.914607
H 4.790503 -0.890012 -1.459186
H 3.709113 -4.479592 0.304306
H 1.998079 -4.143952 -0.201057
H 2.472551 -3.924205 1.513734
H -3.891592 -2.341574 -1.866271
H -5.032472 -1.040763 -2.233244


