%chk=000114005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114005

0 1
 O    5.619800      -1.841600      0.3366000    
 N    2.787400       2.054800     -0.2074000    
 N   0.5303000      0.3834000      8.9999998E-04
 N   -6.865800      0.4933000      1.9700000E-02
 C    5.471800      0.9865000     -3.1199999E-02
 C    4.243400      0.1169000      8.0499999E-02
 C    2.958800      0.6863000     -3.3100002E-02
 C    5.148400       2.446600      0.2848000    
 C    3.927200       2.900000     -0.5064000    
 C    1.839300     -0.1503000      8.2099997E-02
 C   -1.888300      0.4466000      1.1900000E-02
 C   -3.163200     -0.3893000      0.1322000    
 C  -0.6404000     -0.4262000      0.1049000    
 C   -4.414800      0.4811000       0.000000    
 C    4.385800      -1.266600      0.2575000    
 C   -5.685700     -0.3521000      0.1574000    
 C    1.988700      -1.525100      0.2717000    
 C    3.261000      -2.083300      0.3549000    
 C   -8.084900     -0.2907000      0.1576000    
 C   -8.393700      -1.022500      -1.145500    
 C   -9.236300      0.6269000      0.5567000    
 C    6.211000      -2.274800     -0.8861000    
 H    5.864100      0.9106000      -1.052300    
 H    6.252100      0.6475000      0.6598000    
 H    6.010600       3.079900      4.8900001E-02
 H    4.949700       2.554900       1.359200    
 H    4.136400       2.864000      -1.582100    
 H    3.683100       3.937500     -0.2553000    
 H   -1.870000       1.206700      0.8034000    
 H   -1.889400      0.9870000     -0.9434000    
 H   -3.172900     -0.9043000       1.100600    
 H   -3.171700      -1.162600     -0.6456000    
 H    1.866600       2.433800     -0.3793000    
 H  -0.6677000      -1.168600     -0.7020000    
 H  -0.6583000     -0.9563000       1.065100    
 H   -4.413300      0.9767000     -0.9791000    
 H   -4.391700       1.270700      0.7618000    
 H   0.4247000       1.385200     -8.6499996E-02
 H   -5.677300     -0.8359000       1.142000    
 H   -5.676000      -1.140200     -0.6030000    
 H    1.144100      -2.201800      0.3571000    
 H    3.369900      -3.155100      0.4971000    
 H   -7.980200      -1.029000      0.9633000    
 H   -6.833400       1.217200      0.7376000    
 H   -9.348900      -1.554100      -1.068400    
 H   -7.631800      -1.768300      -1.391800    
 H   -8.471600     -0.3254000      -1.987600    
 H   -10.16370      5.5700000E-02  0.6737000    
 H   -9.033400       1.124800       1.511600    
 H   -9.413700       1.401300     -0.1984000    
 H    7.214300      -2.650200     -0.6668000    
 H    6.295900      -1.448100      -1.597800    
 H    5.623100      -3.086800      -1.325600    


%chk=000114005-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114005

0 1
O 5.827489 -1.806548 0.350768
N 2.765462 2.010815 -0.240097
N 0.593270 0.360454 0.044629
N -6.951475 0.465167 0.044489
C 5.527701 1.060586 -0.046829
C 4.335686 0.114882 0.025374
C 3.015380 0.630817 -0.058349
C 5.116370 2.502829 0.327539
C 3.885861 2.935379 -0.495126
C 1.880853 -0.239619 0.082505
C -1.887938 0.405644 0.032261
C -3.185028 -0.429620 0.109092
C -0.620652 -0.466120 0.121662
C -4.463649 0.434482 0.046723
C 4.505066 -1.283258 0.203402
C -5.755501 -0.404358 0.107210
C 2.091938 -1.629972 0.227226
C 3.404144 -2.156471 0.281321
C -8.265182 -0.213305 0.213937
C -8.583670 -1.099790 -1.010629
C -9.352537 0.862904 0.408499
C 6.440266 -2.238278 -0.914402
H 5.958447 1.062395 -1.070700
H 6.325089 0.688116 0.620882
H 5.948576 3.206057 0.139755
H 4.866477 2.555927 1.403949
H 4.164308 2.953505 -1.574421
H 3.571830 3.958643 -0.214871
H -1.883185 1.148065 0.859191
H -1.865094 0.980954 -0.914134
H -3.186016 -1.024520 1.046168
H -3.197531 -1.161102 -0.725446
H 1.886710 2.218550 -0.726175
H -0.606495 -1.186750 -0.719515
H -0.656622 -1.070018 1.060657
H -4.474741 1.033102 -0.884905
H -4.456203 1.159057 0.889626
H 0.532257 1.241822 0.569922
H -5.737293 -1.043653 1.029055
H -5.773750 -1.096726 -0.756425
H 1.237225 -2.305537 0.328677
H 3.575882 -3.228053 0.423711
H -8.259049 -0.873602 1.120967
H -6.862588 1.244262 0.714312
H -9.580003 -1.566131 -0.900001
H -7.846003 -1.913059 -1.134250
H -8.575949 -0.484413 -1.928429
H -10.345172 0.397947 0.543998
H -9.146279 1.486860 1.299964
H -9.390326 1.525249 -0.475468
H 7.435563 -2.631868 -0.652724
H 6.547897 -1.391112 -1.622254
H 5.837583 -3.033887 -1.396421


