%chk=000001790.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001790

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=000001790-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001790

0 1
O 1.699009 0.746313 -0.734235
O 8.133684 0.748086 -0.811755
O -8.617859 -0.583107 -0.869214
N 7.880612 -0.865559 0.857361
N -9.986860 -0.095929 -1.120269
C -3.221947 0.216928 -0.120258
C -4.375691 -0.499017 0.616761
C -1.823600 -0.261669 0.331078
C -5.769080 -0.017424 0.158062
C -0.679498 0.463277 -0.413962
C -6.917886 -0.740899 0.914580
C 0.700090 -0.012089 0.045407
C -8.285237 -0.319650 0.467273
C 9.365452 -0.723016 0.677515
C 9.533302 0.359192 -0.447615
C 7.292019 -0.050449 0.018802
C 5.847520 0.142749 -0.166474
C 3.054606 0.494374 -0.494547
C -9.360096 0.305307 1.078506
C 10.005144 -2.079586 0.329457
C 4.931959 -0.612775 0.609325
C 5.346174 1.079270 -1.112638
C 3.542853 -0.444721 0.453203
C 3.962840 1.254135 -1.275959
C -10.383176 0.422149 0.068597
C -11.757954 1.025516 0.200319
H -3.304439 1.311408 0.042960
H -3.328983 0.055994 -1.212737
H -4.292802 -1.593873 0.452481
H -4.269191 -0.337820 1.710233
H -1.742127 -1.356436 0.166043
H -1.718467 -0.100644 1.424564
H -5.859234 1.075450 0.317362
H -5.889127 -0.191308 -0.928204
H -0.753402 1.555509 -0.250605
H -0.770565 0.294416 -1.503978
H -6.805298 -1.834259 0.771294
H -6.831787 -0.547533 1.999735
H 0.831037 -1.098359 -0.142150
H 0.849292 0.183014 1.128000
H 9.787486 -0.362358 1.635269
H 10.014267 -0.039918 -1.357570
H 10.052569 1.271532 -0.111272
H -9.425229 0.640511 2.110773
H 9.607830 -2.463604 -0.627492
H 9.777876 -2.819678 1.115600
H 11.103983 -1.986642 0.243841
H 5.328997 -1.330564 1.334236
H 6.051825 1.662271 -1.711218
H 2.858559 -1.040321 1.064053
H 3.559559 1.969932 -1.998398
H -11.920028 1.400238 1.223873
H -12.540773 0.280237 -0.024387
H -11.890106 1.866700 -0.502322


