%chk=000149693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149693

0 1
 O    2.958600      -3.074000      0.4007000    
 O   -1.522700      -1.855600      -1.530200    
 O   -2.865300       2.017600       1.899000    
 N    3.528400      0.9509000      -1.021200    
 N    3.244800      -2.295200       2.542300    
 C    2.909900     -0.6577000      0.7727000    
 C    3.544500     -0.4562000     -0.6302000    
 C    1.493500     -0.1978000      0.8583000    
 C    4.271800       1.760400     -5.5399999E-02
 C    4.087900       1.116900      -2.362900    
 C  -0.8079000     -0.3479000      0.1237000    
 C   0.5216000     -0.7792000      4.3499999E-02
 C   -1.159100      0.6640000       1.019800    
 C    1.143200      0.8117000       1.752700    
 C    3.047200      -2.134000       1.187000    
 C  -0.1806000       1.244300       1.836000    
 C   -1.830000     -0.9689000     -0.7431000    
 C   -3.229000     -0.5038000     -0.6489000    
 C   -2.557800       1.129400       1.113700    
 C   -3.580000      0.5083000      0.2469000    
 C    4.196000       3.226800     -0.4350000    
 C    3.313600      0.2758000      -3.359300    
 C   -4.207300      -1.084000      -1.465200    
 C   -4.909500      0.9399000      0.3267000    
 C   -5.530800     -0.6505000      -1.382900    
 C   -5.881200      0.3591000     -0.4887000    
 H    3.517800     -0.1263000       1.514500    
 H    4.570100     -0.8515000     -0.6243000    
 H    2.978400      -1.077000      -1.331500    
 H    3.838800       1.716100      0.9450000    
 H    5.320500       1.447800      2.4100000E-02
 H    3.984000       2.151800      -2.704100    
 H    5.152900      0.8563000      -2.403200    
 H   0.7962000      -1.569100     -0.6506000    
 H    1.887200       1.270900       2.398000    
 H  -0.4285000       2.032200       2.542000    
 H    4.841300       3.476800      -1.282800    
 H    3.170400       3.538800     -0.6610000    
 H    4.542300       3.840400      0.4049000    
 H    3.580600     -0.7847000      -3.314300    
 H    2.230100      0.3812000      -3.234700    
 H    3.553100      0.6062000      -4.376900    
 H   -3.959700      -1.873000      -2.170400    
 H   -5.208200       1.725500       1.015600    
 H    3.342000      -3.220900       2.946300    
 H    3.293500      -1.512200       3.186300    
 H   -6.289200      -1.101000      -2.016600    
 H   -6.912300      0.6946000     -0.4264000    


%chk=000149693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149693

0 1
O 3.148083 -3.095179 0.666715
O -0.995914 -1.013717 -2.092894
O -2.928816 1.511639 2.426209
N 3.455852 0.756956 -1.039546
N 3.522137 -2.351495 2.829145
C 3.168288 -0.647216 1.054746
C 3.811571 -0.501158 -0.352047
C 1.699307 -0.226161 1.108549
C 4.042114 1.964638 -0.399533
C 3.709276 0.695846 -2.506625
C -0.552183 -0.158210 0.122449
C 0.809048 -0.530501 0.053570
C -1.050748 0.519046 1.277492
C 1.196630 0.459279 2.246060
C 3.282275 -2.140251 1.483493
C -0.160962 0.822821 2.334552
C -1.445206 -0.465792 -1.034625
C -2.889133 -0.090894 -0.912683
C -2.485155 0.912123 1.393266
C -3.387493 0.568995 0.249783
C 3.293277 3.264559 -0.752432
C 2.760836 -0.250711 -3.267750
C -3.771948 -0.394830 -1.978615
C -4.759766 0.913379 0.327149
C -5.135527 -0.050618 -1.892692
C -5.630902 0.605413 -0.736537
H 3.724232 -0.039626 1.795057
H 4.919230 -0.628766 -0.240506
H 3.462617 -1.353707 -0.957453
H 3.987976 1.827616 0.696209
H 5.129248 2.069590 -0.651177
H 3.575432 1.716240 -2.906779
H 4.772783 0.408908 -2.714309
H 1.152642 -1.058086 -0.839180
H 1.879256 0.720723 3.064872
H -0.557616 1.349047 3.208564
H 3.367274 3.514803 -1.825418
H 2.224182 3.162771 -0.497319
H 3.714677 4.114848 -0.184623
H 2.910390 -1.311384 -2.997737
H 1.706225 0.006972 -3.069518
H 2.942789 -0.163843 -4.354997
H -3.361975 -0.900037 -2.858813
H -5.113572 1.420836 1.230194
H 3.550378 -3.311248 3.174302
H 3.615016 -1.583903 3.491651
H -5.813965 -0.289369 -2.718710
H -6.691061 0.872853 -0.671608


