%chk=000127087.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127087

0 1
 O    1.706200       1.632300      0.3739000    
 O    7.713500      0.4228000      -1.161200    
 O   -8.362800      -1.209000      -1.080900    
 N    7.584600      -1.087000      0.5524000    
 N   -9.632900     -0.7552000      -1.415100    
 C   -3.063100      0.4402000      0.2139000    
 C   -4.142200     -0.5239000      0.7116000    
 C   -1.684600      6.0100000E-02  0.7569000    
 C   -5.526500     -0.1217000      0.1933000    
 C  -0.6127000       1.041300      0.2875000    
 C   -6.640100      -1.075500      0.6402000    
 C   0.7550000      0.6946000      0.8585000    
 C   -8.001500     -0.6868000      0.1190000    
 C    8.968900      -1.092000      5.1300000E-02
 C    8.899800     -0.3510000      -1.268700    
 C    7.011500     -0.1739000     -0.1675000    
 C    5.626100      0.2970000     -2.7100001E-02
 C    2.997300       1.191300      0.2410000    
 C   -9.007800      0.1105000      0.5965000    
 C    9.474200      -2.515500     -8.6599998E-02
 C    4.799700     -0.2505000      0.9543000    
 C    5.138000       1.292000     -0.8742000    
 C    3.485200      0.1965000       1.088300    
 C    3.823700       1.739000     -0.7403000    
 C   -9.997600      3.1199999E-02 -0.3984000    
 C   -11.31200      0.6929000     -0.4184000    
 H   -3.311800       1.461300      0.5279000    
 H   -3.041200      0.4352000     -0.8826000    
 H   -3.907700      -1.542300      0.3794000    
 H   -4.153400     -0.5347000       1.808100    
 H   -1.426500     -0.9540000      0.4285000    
 H   -1.714000      4.7300000E-02   1.853300    
 H   -5.761300      0.8948000      0.5348000    
 H   -5.505600     -8.2199998E-02 -0.9035000    
 H  -0.8780000       2.064500      0.5818000    
 H  -0.5598000       1.048700     -0.8084000    
 H   -6.410300      -2.094300      0.3050000    
 H   -6.680300      -1.104800       1.736000    
 H   0.9992000     -0.3287000      0.5446000    
 H   0.7289000      0.7429000       1.953300    
 H    9.599100     -0.5457000      0.7639000    
 H    8.808900      -1.013100      -2.136700    
 H    9.762900      0.3055000      -1.414300    
 H   -9.020500      0.6644000       1.523600    
 H    8.834400      -3.103800     -0.7537000    
 H    9.480000      -3.018000      0.8865000    
 H    10.49310      -2.530600     -0.4862000    
 H    5.160500      -1.022000       1.629300    
 H    5.753100       1.741200      -1.649000    
 H    2.884100     -0.2359000       1.882600    
 H    3.448400       2.514400      -1.402600    
 H   -11.46560       1.301000      0.4791000    
 H   -12.11760     -4.7200002E-02 -0.4633000    
 H   -11.40080       1.351700      -1.288300    


%chk=000127087-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127087

0 1
O 1.699010 0.746316 -0.734233
O 8.133685 0.748084 -0.811756
O -8.617857 -0.583109 -0.869215
N 7.880612 -0.865561 0.857359
N -9.986859 -0.095933 -1.120272
C -3.221947 0.216931 -0.120256
C -4.375690 -0.499014 0.616764
C -1.823600 -0.261665 0.331080
C -5.769079 -0.017422 0.158064
C -0.679498 0.463281 -0.413960
C -6.917885 -0.740896 0.914582
C 0.700090 -0.012086 0.045409
C -8.285236 -0.319650 0.467273
C 9.365452 -0.723019 0.677513
C 9.533302 0.359190 -0.447617
C 7.292019 -0.050450 0.018801
C 5.847520 0.142748 -0.166474
C 3.054606 0.494376 -0.494546
C -9.360098 0.305305 1.078504
C 10.005143 -2.079590 0.329454
C 4.931959 -0.612775 0.609325
C 5.346175 1.079270 -1.112637
C 3.542853 -0.444720 0.453204
C 3.962841 1.254137 -1.275958
C -10.383177 0.422144 0.068594
C -11.757956 1.025509 0.200314
H -3.304439 1.311412 0.042962
H -3.328982 0.055997 -1.212735
H -4.292801 -1.593870 0.452485
H -4.269191 -0.337815 1.710236
H -1.742127 -1.356433 0.166046
H -1.718467 -0.100639 1.424567
H -5.859235 1.075453 0.317362
H -5.889126 -0.191307 -0.928203
H -0.753401 1.555512 -0.250603
H -0.770565 0.294420 -1.503976
H -6.805296 -1.834257 0.771297
H -6.831788 -0.547529 1.999736
H 0.831037 -1.098356 -0.142148
H 0.849293 0.183017 1.128002
H 9.787487 -0.362363 1.635267
H 10.014267 -0.039920 -1.357572
H 10.052570 1.271529 -0.111273
H -9.425233 0.640510 2.110771
H 9.607828 -2.463607 -0.627496
H 9.777875 -2.819681 1.115596
H 11.103982 -1.986646 0.243837
H 5.328997 -1.330564 1.334236
H 6.051826 1.662271 -1.711217
H 2.858559 -1.040320 1.064054
H 3.559560 1.969934 -1.998396
H -11.920032 1.400231 1.223868
H -12.540774 0.280228 -0.024392
H -11.890109 1.866692 -0.502328


