%chk=000138522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138522

0 1
 O   -3.744700     -2.7999999E-03  1.8000000E-03
 N   0.3542000      5.0000002E-04 -1.4000000E-03
 C  -0.3620000      -1.249500     -7.9999998E-04
 C  -0.3640000       1.249300     -1.3000000E-03
 C   -1.767100      -1.270600     -6.0000003E-04
 C   -1.769200       1.268300     -1.9999999E-04
 C   -2.520100     -1.8000000E-03   0.000000    
 C    1.764600      1.5000000E-03 -5.0000002E-04
 C   0.3016000      -2.494000       0.000000    
 C   0.2975000       2.495000     -1.7000000E-03
 C   -2.479700      -2.479100     -3.0000001E-04
 C   -2.483800       2.475700      8.9999998E-04
 C    2.463100      7.9999998E-04  -1.208000    
 C    2.461200      2.7000001E-03   1.208100    
 C  -0.4073000      -3.698800      5.0000002E-04
 C  -0.4134000       3.698800     -8.9999998E-04
 C   -1.796600      -3.691200      1.9999999E-04
 C   -1.802600       3.688900      7.9999998E-04
 C    3.858000      1.1000000E-03  -1.207000    
 C    3.856100      3.1000001E-03   1.209000    
 C    4.554400      2.3000001E-03  1.5000000E-03
 H    1.386500      -2.560700      1.9999999E-04
 H    1.382200       2.563400     -2.7000001E-03
 H   -3.566400      -2.494600     -1.9999999E-04
 H   -3.570400       2.489300      1.9000000E-03
 H    1.931700     -9.9999997E-05  -2.156400    
 H    1.928400      3.1000001E-03   2.155600    
 H   0.1305000      -4.642600      1.0000000E-03
 H   0.1230000       4.643400     -1.2000001E-03
 H   -2.347100      -4.627100      5.0000002E-04
 H   -2.354600       4.623900      1.6000000E-03
 H    4.401800      6.0000003E-04  -2.147100    
 H    4.398500      4.0000002E-03   2.149900    
 H    5.640500      2.6000000E-03  2.3000001E-03


%chk=000138522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138522

0 1
O -3.887346 -0.002790 -0.000161
N 0.305828 0.000191 0.000057
C -0.385054 -1.232729 0.000106
C -0.386796 1.232126 -0.000128
C -1.817479 -1.254342 0.000024
C -1.819256 1.251706 -0.000196
C -2.609046 -0.001879 -0.000094
C 1.761112 0.001212 0.000296
C 0.329967 -2.466707 0.000329
C 0.326466 2.467120 -0.000201
C -2.494965 -2.503284 0.000091
C -2.498518 2.499681 -0.000353
C 2.462705 0.001193 -1.226858
C 2.462287 0.002219 1.227691
C -0.367339 -3.685239 0.000397
C -0.372578 3.684653 -0.000376
C -1.788611 -3.714389 0.000262
C -1.793893 3.711790 -0.000443
C 3.876044 0.002164 -1.224343
C 3.875623 0.003198 1.225659
C 4.583944 0.003170 0.000778
H 1.422955 -2.465174 0.000469
H 1.419456 2.467152 -0.000127
H -3.589806 -2.469675 0.000032
H -3.593312 2.464515 -0.000390
H 1.900506 0.000406 -2.166753
H 1.899767 0.002214 2.167395
H 0.199455 -4.623265 0.000573
H 0.192881 4.623485 -0.000451
H -2.321916 -4.670299 0.000301
H -2.328553 4.666943 -0.000554
H 4.420820 0.002139 -2.174573
H 4.420080 0.003972 2.176071
H 5.679372 0.003922 0.000968


