%chk=000100264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100264

0 1
 O   -2.062900      -2.591700     -1.2000001E-03
 O   -3.839700       1.699000     -1.0000000E-03
 N   0.7734000       1.375000      1.9999999E-04
 N   -3.004200     -0.4512000      6.0000003E-04
 N   -1.588200       1.501600      3.0000001E-04
 C    1.946800      0.5767000     -9.9999997E-05
 C  -0.6261000     -0.7080000      3.0000001E-04
 C  -0.4988000      0.7787000      6.0000003E-04
 C    1.820700     -0.8299000      1.9999999E-04
 C   0.4906000      -1.447500      9.9999997E-05
 C   -1.949000      -1.369100      9.9999997E-05
 C    3.249000       1.112200     -6.0000003E-04
 C   0.9456000       2.828800       0.000000    
 C    2.957000      -1.653900      3.0000001E-04
 C   -2.853700      0.9571000      1.9999999E-04
 C    4.377000      0.2862000     -3.9999999E-04
 C    4.231500      -1.095300      1.9999999E-04
 C   -4.368900     -0.9690000      3.0000001E-04
 H   0.4518000      -2.532800       0.000000    
 H    1.484100       3.157600     -0.8959000    
 H    1.484900       3.157800      0.8954000    
 H  -1.1000000E-02   3.361300      3.9999999E-04
 H    3.422000       2.185100     -1.0000000E-03
 H    2.859100      -2.737200      6.0000003E-04
 H    5.369700      0.7273000     -7.9999998E-04
 H    5.107800      -1.736400      3.0000001E-04
 H   -4.886600     -0.5955000     -0.8891000    
 H   -4.889400     -0.5903000      0.8859000    
 H   -4.398500      -2.061100      3.5000001E-03


%chk=000100264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100264

0 1
O -2.117442 -2.581505 -0.000178
O -3.880233 1.758261 -0.001517
N 0.791632 1.316464 -0.000063
N -3.009627 -0.405236 0.000862
N -1.551052 1.564893 0.000474
C 1.956508 0.531741 -0.000045
C -0.589688 -0.706209 0.000588
C -0.499046 0.744487 0.000242
C 1.848900 -0.907107 0.000196
C 0.542268 -1.499407 0.000457
C -1.943768 -1.323877 0.000661
C 3.249346 1.128984 -0.000319
C 0.894971 2.795590 -0.000316
C 3.035349 -1.698036 0.000139
C -2.846398 1.036820 0.001772
C 4.398333 0.320269 -0.000366
C 4.301199 -1.098671 -0.000134
C -4.397650 -0.917325 -0.000160
H 0.414883 -2.588008 0.000585
H 1.427344 3.142266 -0.902950
H 1.427621 3.142554 0.902043
H -0.132802 3.186677 -0.000236
H 3.360537 2.215286 -0.000516
H 2.934313 -2.789255 0.000314
H 5.384758 0.796565 -0.000589
H 5.207248 -1.711784 -0.000175
H -4.930911 -0.553195 -0.893381
H -4.933117 -0.549894 0.890333
H -4.349476 -2.015848 0.001679


