%chk=000173614.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173614

0 1
 O   -8.081200       1.057900      -1.034700    
 O   -7.539400       1.242600       1.164100    
 N   -1.077200     -0.1694000      0.1657000    
 N   -5.317600     -0.4416000      0.2591000    
 N    1.768900     -7.3200002E-02 -5.7599999E-02
 N    8.095000       1.342800      0.4965000    
 N    8.149600     -0.7942000     -0.4475000    
 C   -2.442300     -0.4322000     -0.2845000    
 C   -3.270100      0.8547000     -0.2450000    
 C   -3.107000      -1.507700      0.5799000    
 C   -4.729400      0.5800000     -0.6182000    
 C   -4.571500      -1.705100      0.1799000    
 C  -0.4327000      0.8267000     -0.6988000    
 C  -0.2898000      -1.408600      0.1726000    
 C   0.9789000       1.153000     -0.2048000    
 C    1.125800      -1.156500      0.6967000    
 C   -6.724800     -0.6563000     -7.7200003E-02
 C    3.166200     -1.1000000E-03 -4.2399999E-02
 C   -7.465200      0.6404000      0.1005000    
 C    3.828900       1.140500      0.4512000    
 C    3.953300      -1.068300     -0.5193000    
 C    5.221800       1.211800      0.4676000    
 C    5.346200     -0.9970000     -0.5030000    
 C    5.980600      0.1431000     -9.4999997E-03
 C    7.433000      0.2176000      8.8000000E-03
 H   -2.427700     -0.7969000      -1.322500    
 H   -3.227100       1.311100      0.7531000    
 H   -2.913500       1.599500     -0.9631000    
 H   -2.631200      -2.486200      0.4597000    
 H   -3.050700      -1.238500       1.643200    
 H   -5.256800       1.536600     -0.5322000    
 H   -4.787700      0.2708000      -1.670600    
 H   -4.624400      -2.127200     -0.8325000    
 H   -5.016000      -2.439900      0.8624000    
 H  -0.9589000       1.784600     -0.6945000    
 H  -0.3877000      0.4737000      -1.737800    
 H  -0.2407000      -1.849900     -0.8318000    
 H  -0.7051000      -2.158900      0.8507000    
 H    1.446700       1.829100     -0.9315000    
 H   0.9219000       1.676800      0.7582000    
 H    1.093700     -0.8846000       1.759800    
 H    1.690500      -2.092900      0.6198000    
 H   -7.191800      -1.390600      0.5894000    
 H   -6.846100      -1.018700      -1.105600    
 H    3.270700       1.987200      0.8431000    
 H    3.480700      -1.962100     -0.9205000    
 H    5.663500       2.119200      0.8643000    
 H    5.907000      -1.845900     -0.8843000    
 H   -8.573200       1.895300     -0.8971000    
 H    9.109200       1.376600      0.4996000    
 H    7.624100       2.160400      0.8633000    
 H    9.142700     -0.5541000     -0.3529000    


%chk=000173614-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173614

0 1
O -9.032880 0.386832 0.015269
O -7.297034 1.809285 0.612423
N -1.059210 -0.244511 0.084623
N -5.396029 -0.343392 0.050438
N 1.861581 -0.101908 0.054695
N 8.227866 1.450210 -0.078805
N 8.313374 -0.935448 0.318513
C -2.460914 -0.423435 -0.416217
C -3.272038 0.894193 -0.391355
C -3.212401 -1.466961 0.450411
C -4.736727 0.666250 -0.812975
C -4.675156 -1.637976 0.001483
C -0.345347 0.926130 -0.484793
C -0.222636 -1.452109 -0.144098
C 1.037316 1.115009 0.167530
C 1.150524 -1.309225 0.529294
C -6.827244 -0.502146 -0.224455
C 3.269052 -0.018940 0.121751
C -7.671958 0.697810 0.190096
C 3.939127 1.226076 0.331554
C 4.092195 -1.178899 -0.051286
C 5.345585 1.304876 0.334232
C 5.490324 -1.087647 -0.038735
C 6.153023 0.155638 0.141711
C 7.645975 0.190834 0.131866
H -2.445172 -0.792342 -1.478974
H -3.248814 1.314164 0.631849
H -2.841770 1.642191 -1.082208
H -2.722732 -2.456986 0.403324
H -3.186161 -1.123588 1.500814
H -5.288999 1.616131 -0.724309
H -4.766353 0.346520 -1.890069
H -4.697215 -2.079090 -1.031592
H -5.184831 -2.352579 0.675028
H -0.924999 1.843727 -0.293429
H -0.210209 0.824204 -1.593006
H -0.076122 -1.637919 -1.239700
H -0.721132 -2.336067 0.287176
H 1.542252 1.945826 -0.354342
H 0.897634 1.406066 1.234196
H 1.002790 -1.254315 1.631594
H 1.744788 -2.209729 0.313180
H -7.215013 -1.373762 0.335332
H -7.062269 -0.704537 -1.303320
H 3.367878 2.136510 0.532212
H 3.637767 -2.158765 -0.225113
H 5.803141 2.278619 0.549826
H 6.113557 -1.977591 -0.171596
H -9.583543 1.173403 0.278240
H 9.239454 1.554942 -0.047152
H 7.676044 2.243855 -0.395065
H 9.345760 -0.815032 0.253734


