%chk=000080971.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080971

0 1
 O    3.737500      0.7555000     -8.9999998E-04
 O    3.369000      -1.487400     -6.0000003E-04
 N  -0.1812000       1.742400      1.9999999E-04
 C  -0.8278000     -0.5791000      1.9999999E-04
 C   -1.139700      0.7966000     -9.9999997E-05
 C   0.5238000     -0.9492000      6.0000003E-04
 C    1.513700      2.3100000E-02  7.9999998E-04
 C   -1.853700      -1.539300      9.9999997E-05
 C   -2.482500       1.163800     -3.0000001E-04
 C    1.111300       1.343200      6.0000003E-04
 C   -3.188400      -1.144100     -1.9999999E-04
 C   -3.502700      0.2092000     -5.0000002E-04
 C    2.920800     -0.3348000      9.9999997E-05
 H   0.7940000      -2.003500      6.0000003E-04
 H   -1.618700      -2.601400      3.9999999E-04
 H   -2.755200       2.217600     -5.0000002E-04
 H    1.812600       2.171600      5.0000002E-04
 H   -3.978300      -1.888800     -3.0000001E-04
 H   -4.541400      0.5267000     -7.9999998E-04
 H    4.685000      0.5013000     -1.9000000E-03


%chk=000080971-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080971

0 1
O 3.807947 0.771779 0.000390
O 3.401675 -1.516445 0.000299
N -0.191803 1.797644 -0.000487
C -0.831749 -0.613493 -0.000241
C -1.164841 0.799200 -0.000248
C 0.550493 -0.968497 -0.000430
C 1.522246 0.041114 -0.000686
C -1.887199 -1.583428 -0.000013
C -2.539104 1.192127 -0.000025
C 1.096352 1.417033 -0.000690
C -3.221105 -1.171347 0.000208
C -3.547607 0.223812 0.000200
C 2.956232 -0.343133 -0.000977
H 0.864544 -2.018596 -0.000419
H -1.631546 -2.649709 -0.000005
H -2.761070 2.263495 -0.000043
H 1.849863 2.210626 -0.000900
H -4.026577 -1.913283 0.000387
H -4.599574 0.529346 0.000369
H 4.750924 0.455155 0.001311


