%chk=000178069.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178069

0 1
 O   -1.049700      0.5457000      0.4992000    
 O  -0.3297000      -1.623500      0.2243000    
 O    5.779300       1.087300      5.0900001E-02
 N   -4.815900      0.6186000     -0.9681000    
 N    2.828800       1.654400      0.3248000    
 C   -4.294700     -0.7609000     -0.9313000    
 C   -4.791100       1.013300      0.4531000    
 C   -4.980500      -1.397500      0.2825000    
 C   -5.310400     -0.2191000       1.202100    
 C   -2.770500     -0.6425000     -0.7338000    
 C   -3.318000       1.314200      0.7931000    
 C   -2.401300      0.1059000      0.5557000    
 C   -6.150600      0.7036000      -1.555600    
 C  -0.1119000     -0.4266000      0.3299000    
 C    1.251600      0.1598000      0.2888000    
 C    2.448300     -0.5352000      0.1305000    
 C    1.472700       1.485000      0.4071000    
 C    3.450000      0.4375000      0.1557000    
 C    2.817700      -1.885100     -3.3500001E-02
 C    4.808100      0.1265000      2.4599999E-02
 C    4.172400      -2.210800     -0.1657000    
 C    5.150600      -1.218900     -0.1370000    
 C    6.144700       1.668200      -1.197300    
 H   -4.493500      -1.315200      -1.855500    
 H   -5.393700       1.905200      0.6581000    
 H   -4.352300      -2.141800      0.7827000    
 H   -5.909100      -1.898100     -1.6500000E-02
 H   -6.396200     -0.1578000       1.341100    
 H   -4.858200     -0.3352000       2.192500    
 H   -2.368300      -1.660100     -0.7366000    
 H   -2.323800     -0.1370000      -1.601000    
 H   -2.967700       2.166400      0.1946000    
 H   -3.228000       1.633900       1.838900    
 H   -2.500000     -0.5711000       1.414500    
 H   -6.118800      0.3902000      -2.604900    
 H   -6.497400       1.742900      -1.549200    
 H   -6.901600      9.3599997E-02  -1.043300    
 H   0.8262000       2.341300      0.5414000    
 H    3.306000       2.543700      0.3796000    
 H    2.073400      -2.675400     -5.9000000E-02
 H    4.463400      -3.250300     -0.2923000    
 H    6.195600      -1.501500     -0.2416000    
 H    5.284300       2.162900      -1.658900    
 H    6.546400      0.9059000      -1.872500    
 H    6.920700       2.416300      -1.013900    


%chk=000178069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178069

0 1
O -1.166004 0.598034 0.074380
O -0.318657 -1.576275 0.323591
O 5.674774 1.462481 -0.543785
N -5.240320 0.731048 -0.723484
N 2.793492 1.853841 -0.408043
C -4.636497 -0.602486 -1.053271
C -4.907216 0.850581 0.734213
C -5.052895 -1.545616 0.137086
C -5.230245 -0.564310 1.346226
C -3.100265 -0.408867 -1.131095
C -3.399234 1.198333 0.839798
C -2.553986 0.064491 0.233556
C -6.690072 0.820797 -1.015513
C -0.120757 -0.345449 0.130137
C 1.184069 0.286829 -0.055569
C 2.476066 -0.387628 -0.041255
C 1.427022 1.651651 -0.283192
C 3.457689 0.627253 -0.264642
C 2.894673 -1.734165 0.137204
C 4.842687 0.350063 -0.316618
C 4.273068 -2.008043 0.084503
C 5.248324 -0.987516 -0.139086
C 7.117097 1.212089 -0.601418
H -5.015453 -0.958331 -2.027277
H -5.506105 1.656484 1.193192
H -4.289744 -2.320318 0.329454
H -5.999438 -2.066606 -0.092338
H -6.263757 -0.593815 1.734479
H -4.556802 -0.807778 2.187248
H -2.599857 -1.348794 -1.426564
H -2.885413 0.361886 -1.893210
H -3.215870 2.131233 0.277308
H -3.107936 1.364809 1.893867
H -2.489834 -0.797240 0.923725
H -6.846119 0.705560 -2.103024
H -7.054581 1.823183 -0.727754
H -7.324594 0.062457 -0.495859
H 0.707825 2.463190 -0.359503
H 3.264180 2.740443 -0.579497
H 2.154989 -2.519834 0.308605
H 4.623186 -3.037672 0.218534
H 6.307851 -1.259122 -0.169936
H 7.368749 0.524077 -1.431412
H 7.486888 0.792200 0.353857
H 7.576325 2.195549 -0.779420


