%chk=000174120.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000174120

0 1
 O    1.117100      -1.764900      0.3266000    
 N    5.023500      0.4704000     -0.5192000    
 N    1.321900      0.2232000     -0.8491000    
 N   -1.258100      0.7392000     -0.3597000    
 C    3.627100      0.6676000     -0.1525000    
 C    5.881000       1.432200      0.1764000    
 C    5.448400     -0.8981000     -0.2174000    
 C    2.712800      6.3199997E-02  -1.207800    
 C   -5.758900      5.9300002E-02 -0.2974000    
 C   -4.855900      0.5980000      0.8143000    
 C   -7.211600      0.4861000     -8.6599998E-02
 C   -3.414900      0.2129000      0.5976000    
 C    5.816900       1.236400       1.681700    
 C    6.883000      -1.137000     -0.6566000    
 C   0.6031000     -0.7127000     -9.5100001E-02
 C  -0.7963000     -0.4193000      0.1623000    
 C   -2.903200     -0.9704000       1.118500    
 C   -2.558700       1.025800     -0.1278000    
 C   -8.107500     -1.1700000E-02  -1.209600    
 C   -1.569800      -1.299900      0.9013000    
 H    3.388700       1.738600     -9.3599997E-02
 H    3.386900      0.2418000      0.8305000    
 H    5.553100       2.451300     -6.7100003E-02
 H    6.917000       1.390900     -0.1760000    
 H    4.841100      -1.602500     -0.7967000    
 H    5.312200      -1.188300      0.8304000    
 H    2.894300      -1.005200      -1.355400    
 H    2.853800      0.5636000      -2.172500    
 H   -5.697800      -1.035900     -0.3313000    
 H   -5.408100      0.4248000      -1.271000    
 H   -5.191700      0.2224000       1.789300    
 H   -4.934300       1.691300      0.8692000    
 H   -7.579200      9.4899997E-02  0.8691000    
 H   -7.275400       1.579300     -3.6200002E-02
 H   0.8470000       1.064100      -1.164800    
 H    4.807700       1.323500       2.093400    
 H    6.259600      0.2943000       2.016500    
 H    6.405900       2.028900       2.159800    
 H    7.057200     -0.7873000      -1.680100    
 H    7.611400     -0.6634000      8.2999999E-03
 H    7.096800      -2.211800     -0.6403000    
 H   -3.534300      -1.642900       1.693000    
 H   -2.900000       1.960900     -0.5610000    
 H   -7.786000      0.3905000      -2.175600    
 H   -9.141400      0.3034000      -1.037600    
 H   -8.090800      -1.104700      -1.269300    
 H   -1.172300      -2.223400       1.308500    


%chk=000174120-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000174120

0 1
O 1.107681 -1.970325 0.054416
N 5.083773 0.400521 -0.303245
N 1.310838 0.222817 -0.752850
N -1.260918 0.777155 -0.184261
C 3.661720 0.619960 0.044020
C 5.997773 1.490434 0.116852
C 5.547769 -0.977394 0.002913
C 2.731594 0.127389 -1.100039
C -5.868738 0.099591 -0.331449
C -4.948043 0.565937 0.832749
C -7.347782 0.489659 -0.114091
C -3.499296 0.170302 0.620768
C 6.214045 1.659330 1.647145
C 6.831550 -1.369568 -0.752167
C 0.614134 -0.821455 -0.192673
C -0.832561 -0.492108 0.103995
C -3.027479 -1.135523 0.916425
C -2.560171 1.085519 0.073928
C -8.261163 0.025960 -1.269144
C -1.683645 -1.474084 0.658817
H 3.493255 1.702572 0.201830
H 3.361479 0.103768 0.985733
H 5.597523 2.435635 -0.298464
H 6.976194 1.329879 -0.373091
H 4.737961 -1.670007 -0.291706
H 5.698157 -1.132655 1.100756
H 2.950301 -0.932179 -1.318567
H 2.934705 0.716874 -2.011335
H -5.786845 -1.000532 -0.443599
H -5.502937 0.536950 -1.282161
H -5.325273 0.129579 1.778906
H -5.028893 1.666069 0.932484
H -7.704837 0.052598 0.840923
H -7.422850 1.590393 0.000209
H 0.776475 1.091227 -0.877066
H 5.257681 1.849214 2.168555
H 6.674851 0.760633 2.095994
H 6.885136 2.516107 1.845504
H 6.696383 -1.216913 -1.837596
H 7.705503 -0.776575 -0.426350
H 7.067849 -2.434583 -0.572354
H -3.710226 -1.876173 1.349535
H -2.867974 2.111475 -0.164167
H -7.944499 0.473746 -2.229774
H -9.313246 0.315047 -1.092294
H -8.227645 -1.073657 -1.385020
H -1.268007 -2.463209 0.870405


