%chk=000100819.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100819

0 1
 O    2.230700       3.033200     -4.4000000E-03
 O    3.927700      -3.020900      1.5000000E-03
 N  -0.8574000      -1.535900     -1.8000000E-03
 N    4.161700     -0.6968000      1.2000001E-03
 N  -0.4080000       3.300700      8.9999998E-04
 C  -0.6731000      0.8740000     -1.9999999E-04
 C  -0.1138000     -0.4071000     -1.3000000E-03
 C    1.361800     -0.5435000     -1.2000001E-03
 C   -2.077100      0.9916000      1.0000000E-03
 C    2.199500      0.6430000     -8.9999998E-04
 C   9.7999997E-02   2.049100     -9.9999997E-05
 C   -2.870000     -0.2019000      6.0000003E-04
 C    1.577900       1.996600     -1.6000000E-03
 C   -2.194100      -1.442100     -1.0000000E-03
 C    1.949700      -1.753900     -6.9999998E-04
 C    3.535100      0.5364000      1.9999999E-04
 C   -2.605500       2.301600      2.0999999E-03
 C    3.439100      -1.892000      6.0000003E-04
 C   -4.287900     -0.2197000      1.7000000E-03
 C   -1.749300       3.394200      1.9000000E-03
 C   -2.932000      -2.622300     -1.7000000E-03
 C   -5.006500      -1.414300      1.0000000E-03
 C    5.619000     -0.7504000      3.0000000E-03
 C   -4.325500      -2.619600     -6.9999998E-04
 H    1.391700      -2.684800     -6.0000003E-04
 H    4.194300       1.397900      6.9999998E-04
 H   -3.673800       2.491500      3.0000000E-03
 H   -4.861700      0.7033000      3.0000000E-03
 H   -2.143200       4.405200      2.7000001E-03
 H   -2.416900      -3.581800     -2.9000000E-03
 H    5.987800      -1.779500      3.7000000E-03
 H    5.991900     -0.2419000      0.8977000    
 H    5.993900     -0.2423000     -0.8910000    
 H   -6.092000      -1.398000      1.8000000E-03
 H   -4.872100      -3.557700     -1.2000001E-03


%chk=000100819-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100819

0 1
O 2.339199 3.068704 0.001011
O 4.070785 -3.049811 0.000731
N -0.825514 -1.540681 0.000004
N 4.195809 -0.689192 0.000564
N -0.442755 3.356514 0.001103
C -0.691743 0.911854 0.000516
C -0.095097 -0.417037 0.000234
C 1.381727 -0.538910 0.000254
C -2.125308 1.028297 0.000541
C 2.186034 0.662893 0.000501
C 0.101078 2.111628 0.000798
C -2.924047 -0.192156 0.000265
C 1.611260 2.028149 0.000714
C -2.217660 -1.450288 0.000007
C 2.003560 -1.783004 0.000076
C 3.575590 0.526943 0.000712
C -2.672575 2.343129 0.000855
C 3.445253 -1.944797 -0.000182
C -4.348669 -0.210024 0.000239
C -1.810094 3.450584 0.001122
C -2.948854 -2.676096 -0.000266
C -5.050529 -1.424220 -0.000033
C 5.676637 -0.775102 0.001090
C -4.348491 -2.665131 -0.000287
H 1.401933 -2.693809 0.000006
H 4.201524 1.424994 0.001063
H -3.753379 2.507899 0.000899
H -4.910842 0.729398 0.000431
H -2.211465 4.469854 0.001418
H -2.375211 -3.607508 -0.000456
H 5.941601 -1.843112 0.000766
H 6.086249 -0.290953 0.903249
H 6.086914 -0.290263 -0.900393
H -6.145689 -1.420115 -0.000051
H -4.907333 -3.606728 -0.000498


