%chk=000173417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000173417

0 1
 O   0.2803000       1.805200      0.4890000    
 O   -4.138600      -1.060100     -0.4101000    
 N    1.780500     -0.3197000      0.7002000    
 N   -2.863600      -3.331600     -0.2489000    
 C    4.192000      3.7999999E-02   1.091400    
 C    4.424700      0.9202000     -0.1588000    
 C    3.048400     -0.9764000      0.9126000    
 C    4.001100      0.9567000       2.321300    
 C    4.700700      0.1772000      -1.471300    
 C    5.003800       1.106600      -2.646700    
 C   0.5946000     -0.9957000      0.4606000    
 C    3.859100      0.2057000       3.637600    
 C  -0.6528000     -0.3603000      0.2514000    
 C   -1.807600      -1.109200      1.5699999E-02
 C   0.6347000      -2.402600      0.4235000    
 C   -1.738900      -2.507200     -1.6000001E-02
 C  -0.7110000       1.115300      0.2870000    
 C    5.170800      0.3261000      -3.941700    
 C   -2.008500       1.787300      7.0299998E-02
 C   -3.105300     -0.4373000     -0.2007000    
 C   -3.163500       1.038200     -0.1651000    
 C  -0.5175000      -3.150000      0.1880000    
 C   -2.077200       3.185200      0.1018000    
 C   -4.387100       1.687200     -0.3687000    
 C   -3.298800       3.828000     -0.1015000    
 C   -4.451100       3.080600     -0.3363000    
 C   -2.769000      -4.607300     -0.8846000    
 H    5.111000     -0.5422000       1.253500    
 H    5.280700       1.578500      4.1299999E-02
 H    3.564800       1.585800     -0.3075000    
 H    2.997700      -1.619200       1.799100    
 H    3.289900      -1.629000      6.5800004E-02
 H    3.132900       1.612600       2.187700    
 H    4.873800       1.617200       2.403900    
 H    5.541800     -0.5114000      -1.325700    
 H    3.828600     -0.4331000      -1.732100    
 H    1.751300      0.6913000      0.7221000    
 H    5.917800       1.676100      -2.443200    
 H    4.189600       1.830500      -2.767200    
 H    3.869500      0.9122000       4.474000    
 H    4.684000     -0.4993000       3.780100    
 H    2.915300     -0.3450000       3.686900    
 H    1.552300      -2.962900      0.5804000    
 H    4.257300     -0.2237000      -4.189900    
 H    5.391700       1.008000      -4.768800    
 H    5.993800     -0.3914000      -3.863600    
 H  -0.4236000      -4.232100      0.1847000    
 H   -1.194600       3.792800      0.2828000    
 H   -3.775500      -2.891400     -0.2206000    
 H   -5.301300       1.129700     -0.5537000    
 H   -3.351500       4.912600     -7.6800004E-02
 H   -5.400900       3.583500     -0.4944000    
 H   -2.186600      -4.557100      -1.810800    
 H   -3.771600      -4.959900      -1.148600    
 H   -2.332300      -5.359200     -0.2198000    


%chk=000173417-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173417

0 1
O 0.414883 1.778659 0.449104
O -4.234212 -1.090717 -0.522179
N 1.774501 -0.398489 0.621346
N -2.953923 -3.310776 -0.361029
C 4.185043 0.060365 1.067164
C 4.372878 1.005537 -0.154077
C 3.089807 -1.011216 0.836642
C 3.951675 0.889242 2.362987
C 4.692743 0.296685 -1.489419
C 5.056997 1.286478 -2.619964
C 0.613001 -1.088468 0.382538
C 3.902052 0.057497 3.663003
C -0.636456 -0.391228 0.175422
C -1.849843 -1.139791 -0.077474
C 0.611928 -2.529161 0.331943
C -1.811887 -2.583642 -0.121974
C -0.659275 1.072006 0.223903
C 5.345565 0.585637 -3.964874
C -1.948936 1.769774 0.008766
C -3.123072 -0.447808 -0.291128
C -3.143195 1.032978 -0.241399
C -0.549723 -3.245297 0.090283
C -1.995371 3.188111 0.052475
C -4.366084 1.724807 -0.444719
C -3.211521 3.864863 -0.149821
C -4.402226 3.129956 -0.399679
C -3.013615 -4.768326 -0.423499
H 5.131076 -0.509000 1.199733
H 5.200521 1.704576 0.085966
H 3.470230 1.637152 -0.283905
H 3.056995 -1.691773 1.713210
H 3.368666 -1.636059 -0.037607
H 3.017245 1.477697 2.266530
H 4.771770 1.631195 2.439858
H 5.533958 -0.414225 -1.342248
H 3.821807 -0.307086 -1.815822
H 1.638496 0.638694 0.633973
H 5.941492 1.881432 -2.312941
H 4.226244 2.009614 -2.749616
H 3.832613 0.717499 4.546808
H 4.811516 -0.563267 3.777041
H 3.024875 -0.614593 3.687612
H 1.549872 -3.069382 0.488675
H 4.463414 0.014431 -4.310772
H 5.604893 1.315308 -4.753834
H 6.189163 -0.124418 -3.870740
H -0.507213 -4.338161 0.060615
H -1.062173 3.725249 0.246657
H -3.799823 -2.709665 -0.497367
H -5.265215 1.130942 -0.634592
H -3.242294 4.959422 -0.115172
H -5.348271 3.659500 -0.557093
H -2.376927 -5.179301 -1.232746
H -4.053900 -5.068034 -0.627380
H -2.704664 -5.241425 0.530414


