%chk=000139877.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139877

0 1
 O  -0.8171000       1.301500     -3.9999999E-04
 N   -1.986500     -0.6917000      5.0000002E-04
 N   0.3006000     -0.7628000      5.0000002E-04
 C   -3.313400     -0.1030000      3.0000001E-04
 C   -4.363400      -1.220000      6.0000003E-04
 C   -3.477200      0.7632000       1.253500    
 C   -3.484000      0.7617000      -1.254100    
 C  -0.8198000      7.2899997E-02  3.0000001E-04
 C    1.664100     -0.3867000      5.0000002E-04
 C    2.639100      -1.371000     -1.9999999E-04
 C    1.997000      0.9582000      3.0000001E-04
 C    3.983800      -1.000400     -6.9999998E-04
 C    3.341700       1.328700     -1.9999999E-04
 C    4.335100      0.3494000     -7.9999998E-04
 H   -4.257000      -1.861600      0.8832000    
 H   -5.380700     -0.8135000      1.2000001E-03
 H   -4.257800      -1.861700     -0.8820000    
 H   -2.831700       1.646300       1.257300    
 H   -3.253900      0.1898000       2.161100    
 H   -4.507400       1.128500       1.339600    
 H   -3.266900      0.1862000      -2.161700    
 H   -4.514000       1.129100      -1.334400    
 H   -2.835900       1.642800      -1.263000    
 H   -1.900800      -1.703600      6.9999998E-04
 H   0.1226000      -1.764100      5.0000002E-04
 H    2.376400      -2.425200     -1.9999999E-04
 H    1.288800       1.773300      8.9999998E-04
 H    4.757300      -1.762800     -1.1000000E-03
 H    3.617000       2.379600     -3.0000001E-04
 H    5.382200      0.6381000     -1.3000000E-03


%chk=000139877-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139877

0 1
O -0.798121 1.331231 -0.000993
N -2.007828 -0.678421 -0.001400
N 0.330562 -0.747098 -0.002102
C -3.379961 -0.079460 0.000386
C -4.368157 -1.271425 0.002530
C -3.584586 0.780968 1.275187
C -3.588619 0.779722 -1.274614
C -0.827812 0.062035 -0.002744
C 1.690294 -0.332533 -0.001265
C 2.680200 -1.355258 -0.000633
C 2.095771 1.030241 -0.001036
C 4.050389 -1.025590 0.000196
C 3.472647 1.341759 -0.000188
C 4.458798 0.328593 0.000432
H -4.234944 -1.900332 0.903443
H -5.405732 -0.896764 0.003824
H -4.237605 -1.901359 -0.898061
H -2.851359 1.603106 1.302077
H -3.461201 0.165561 2.185083
H -4.602408 1.212322 1.279884
H -3.468250 0.163400 -2.184293
H -4.606413 1.211174 -1.276453
H -2.855403 1.601749 -1.304671
H -1.961432 -1.698938 -0.001546
H 0.194662 -1.760188 -0.001915
H 2.374414 -2.410568 -0.000791
H 1.334975 1.812293 -0.001493
H 4.797439 -1.827366 0.000675
H 3.774844 2.395448 -0.000010
H 5.523033 0.586900 0.001091


