%chk=000154362.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154362

0 1
 O    3.203000       2.037000     -0.5082000    
 N   -1.474500       2.362000     -6.0000003E-04
 N    2.124600      0.3311000      0.6586000    
 N    4.497200      -2.393600     -0.2469000    
 N  -0.6180000      0.2967000      1.0400000E-02
 C  -0.3207000       1.581000      7.3000002E-03
 C   0.9242000       2.276800      1.0700000E-02
 C    3.337300      -1.522500     -0.3858000    
 C    3.253500     -0.5617000      0.7912000    
 C   -1.988300      0.2406000      4.6000001E-03
 C   -2.540500       1.499400     -2.4000001E-03
 C    2.198300       1.556700      1.8200001E-02
 C   -1.463900       3.754100     -4.9999999E-03
 C   0.9472000       3.624400      6.5000001E-03
 C   -2.736900     -0.9776000      5.7000001E-03
 C  -0.2856000       4.398300     -1.4000000E-03
 C    4.605900      -3.295700      -1.395100    
 C    4.419200      -3.163000      0.9965000    
 C   -3.993800      -1.031500     -0.6037000    
 C   -2.216400      -2.122500      0.6163000    
 C   -4.724200      -2.219800     -0.6023000    
 C   -2.946900      -3.310800      0.6174000    
 C   -4.200800      -3.359400      8.0000004E-03
 H    2.405800      -2.099900     -0.4631000    
 H    3.422500     -0.9394000      -1.312000    
 H    4.168700      3.5900000E-02  0.8744000    
 H    3.089100      -1.076800       1.741800    
 H   -3.560900       1.859800     -1.6000000E-03
 H    1.254400      2.4900001E-02   1.082600    
 H   -2.416200       4.270300     -1.0800000E-02
 H    1.872700       4.191600      1.4400000E-02
 H  -0.2255000       5.479800     -4.0000002E-03
 H    4.693400      -2.724500      -2.326200    
 H    3.740800      -3.963400      -1.479500    
 H    5.510500      -3.909300      -1.319300    
 H    5.210100      -3.922800       1.024100    
 H    3.459500      -3.680000       1.110300    
 H    4.601200      -2.538000       1.876100    
 H   -4.426900     -0.1661000      -1.099300    
 H   -1.242600      -2.107800       1.100500    
 H   -5.699400      -2.258900      -1.078900    
 H   -2.539800      -4.198300       1.093100    
 H   -4.769200      -4.284900      8.6000003E-03


%chk=000154362-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154362

0 1
O 3.257599 1.824684 0.308516
N -1.561036 2.408129 -0.343987
N 1.860848 -0.029316 0.602038
N 4.774948 -2.410939 0.015500
N -0.886790 0.292036 0.208679
C -0.450025 1.558400 -0.029956
C 0.868129 2.113634 -0.011633
C 3.713683 -1.439390 -0.327309
C 2.960550 -0.944289 0.936071
C -2.279773 0.314523 0.051022
C -2.708680 1.611924 -0.289269
C 2.096794 1.294082 0.309905
C -1.394724 3.755880 -0.631765
C 1.017597 3.474250 -0.305871
C -3.101139 -0.894262 0.233251
C -0.113325 4.293385 -0.615011
C 5.898263 -2.409891 -0.941866
C 4.262461 -3.771163 0.267008
C -4.515760 -0.856541 0.092395
C -2.480170 -2.131093 0.556687
C -5.286937 -2.023075 0.269661
C -3.252607 -3.297339 0.733955
C -4.659521 -3.250174 0.591433
H 2.974834 -1.857212 -1.058080
H 4.179185 -0.555516 -0.797801
H 3.687840 -0.422722 1.581719
H 2.540016 -1.795616 1.500341
H -3.694805 2.017655 -0.491908
H 0.877410 -0.358371 0.561680
H -2.294078 4.331901 -0.859908
H 2.032848 3.882422 -0.288472
H 0.015238 5.354472 -0.842047
H 6.306471 -1.388379 -1.033716
H 5.615677 -2.765257 -1.966039
H 6.704817 -3.066870 -0.567477
H 5.083063 -4.417748 0.626984
H 3.819320 -4.249098 -0.645163
H 3.485315 -3.752173 1.051037
H -5.018785 0.085600 -0.154277
H -1.391650 -2.157017 0.664334
H -6.375988 -1.977468 0.158273
H -2.759432 -4.243525 0.982952
H -5.259580 -4.156335 0.729313


