%chk=000114608.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114608

0 1
 O    5.954700     -0.2865000      1.8000000E-03
 N  -0.4237000     -0.7541000     -5.1000002E-03
 N   -7.058700      0.6362000      5.1000002E-03
 C    1.842400      0.1215000     -1.3000000E-03
 C    2.637300       1.256600      1.7000000E-03
 C    2.399100      -1.147700     -4.0000002E-03
 C    4.600300     -0.1520000     -5.0000002E-04
 C    4.025400       1.118900      2.2000000E-03
 C    3.787100      -1.285200     -3.5000001E-03
 C   -1.792200     -0.4662000     -3.1999999E-03
 C   0.3770000      0.2676000     -1.1000000E-03
 C   -2.475600     -0.3174000      -1.210000    
 C   -2.474200     -0.3299000       1.205900    
 C   -3.841100     -3.2200001E-02  -1.207800    
 C   -3.839700     -4.4900000E-02   1.208200    
 C   -4.523000      0.1040000      1.3000000E-03
 C    6.726400      0.9137000      6.8999999E-03
 C   -5.921600      0.3976000      3.4000000E-03
 H    2.200300       2.251300      3.8999999E-03
 H    1.788900      -2.046100     -6.0999999E-03
 H    4.597500       2.040500      4.6999999E-03
 H    4.229500      -2.277800     -5.1000002E-03
 H  -1.6899999E-02   1.301900      3.1000001E-03
 H   -1.953100     -0.4228000      -2.157300    
 H   -1.950700     -0.4451000       2.151500    
 H   -4.359900      8.1000000E-02  -2.156800    
 H   -4.357500      5.8499999E-02   2.158800    
 H    6.556100       1.497800      0.9176000    
 H    6.560100       1.502800     -0.9014000    
 H    7.781200      0.6197000      8.2999999E-03


%chk=000114608-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114608

0 1
O 6.025044 -0.402283 -0.000403
N -0.464899 -0.474924 -0.000423
N -7.327413 0.164556 -0.001793
C 1.852494 0.281421 0.001259
C 2.732898 1.393725 0.004300
C 2.406346 -1.033729 -0.002281
C 4.663185 -0.096290 0.000344
C 4.132001 1.219427 0.003907
C 3.792578 -1.222908 -0.002765
C -1.863386 -0.287608 -0.000273
C 0.400967 0.503904 0.001782
C -2.582952 -0.231530 -1.228726
C -2.584174 -0.244077 1.227962
C -3.983195 -0.115020 -1.228217
C -3.984395 -0.127455 1.227233
C -4.702482 -0.058995 -0.000537
C 6.982276 0.710862 0.003075
C -6.134681 0.062055 -0.000595
H 2.318887 2.409961 0.007038
H 1.720610 -1.886992 -0.004615
H 4.786957 2.095203 0.006338
H 4.236591 -2.222811 -0.005488
H 0.070829 1.564391 0.004305
H -2.031575 -0.286458 -2.172620
H -2.033731 -0.308616 2.171785
H -4.529626 -0.064452 -2.175460
H -4.531770 -0.086468 2.174393
H 6.867256 1.333538 0.910698
H 6.867702 1.338865 -0.900931
H 7.973056 0.234409 0.001907


