%chk=000154435.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154435

0 1
 O   -4.995000      -1.336100     -1.5000000E-03
 O   -3.374200      -2.816700     -3.0000001E-04
 O    5.510600     -0.8178000     -3.0000001E-04
 O    4.023600      -2.432700      3.9999999E-04
 N   8.0499999E-02   2.350600     -1.9999999E-04
 N   -3.777000      -1.630200     -1.9999999E-04
 N    4.320300      -1.213800     -9.9999997E-05
 C  -0.5206000      0.2034000      3.0000001E-04
 C   -1.007900       1.510500      9.9999997E-05
 C   0.9084000      0.2802000      9.9999997E-05
 C    1.252800       1.632100     -1.9999999E-04
 C   -1.446200     -0.8614000      6.9999998E-04
 C   -2.375400       1.808700      1.9999999E-04
 C   -2.816800     -0.5790000      8.9999998E-04
 C   -3.272300      0.7371000      6.0000003E-04
 C    1.942700     -0.6792000       0.000000    
 C    2.580400       2.075200     -3.9999999E-04
 C  -0.9987000      -2.292600      3.9999999E-04
 C   -2.897500       3.207200       0.000000    
 C    3.275300     -0.2515000     -9.9999997E-05
 C    3.587000       1.106000     -3.0000001E-04
 H   3.3500001E-02   3.359800     -3.0000001E-04
 H   -4.336000      0.9690000      6.0000003E-04
 H    1.746600      -1.739100     -9.9999997E-05
 H    2.823400       3.132600     -5.0000002E-04
 H   -1.314000      -2.810700      0.9133000    
 H   -1.312600      -2.809900     -0.9134000    
 H   7.0900001E-02  -2.423200      1.5000000E-03
 H   -3.514100       3.377800     -0.8889000    
 H   -3.510200       3.379400      0.8911000    
 H   -2.099900       3.955100     -2.6000000E-03
 H    4.616900       1.456600     -3.9999999E-04


%chk=000154435-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154435

0 1
O -5.151937 -1.185736 0.000506
O -3.626768 -2.866037 0.000151
O 5.642009 -0.720743 -0.000756
O 4.144839 -2.442218 -0.000900
N 0.072804 2.354285 0.000071
N -3.926558 -1.607841 -0.000504
N 4.433561 -1.181240 -0.000127
C -0.541456 0.126042 0.000035
C -1.024606 1.485639 -0.000081
C 0.930881 0.217351 0.000083
C 1.259880 1.623962 0.000137
C -1.458443 -0.965798 0.000118
C -2.396762 1.833853 -0.000270
C -2.840366 -0.595551 -0.000226
C -3.289652 0.753722 -0.000401
C 1.998894 -0.706123 -0.000066
C 2.585242 2.110798 0.000190
C -0.969639 -2.398947 0.000733
C -2.892422 3.268593 -0.000184
C 3.319763 -0.208540 -0.000006
C 3.631462 1.176536 0.000132
H 0.012121 3.370238 0.000130
H -4.369610 0.924142 -0.000687
H 1.869281 -1.788500 -0.000282
H 2.795838 3.184739 0.000250
H -1.350890 -2.951472 0.876255
H -1.348772 -2.951538 -0.875688
H 0.124132 -2.449035 0.002082
H -3.519212 3.469637 -0.887496
H -3.513175 3.471707 0.890929
H -2.075744 4.011417 -0.003895
H 4.679806 1.484057 0.000168


