%chk=000094787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094787

0 1
 O   -4.619500     -0.1539000      8.9999998E-04
 O   -3.487800      -2.034900     -3.0000001E-04
 N   -3.533400     -0.7814000      3.0000001E-04
 C    1.428600       1.992900     -9.9999997E-05
 C   2.7500000E-02   1.418000     -3.9999999E-04
 C   7.2300002E-02  5.7000001E-03 -6.9999998E-04
 C    2.276800      0.7384000     -1.9999999E-04
 C    1.457500     -0.4129000     -6.9999998E-04
 C   -1.097700     -0.7352000     -5.0000002E-04
 C   -1.174800       2.103400       0.000000    
 C    3.657400      0.6433000      5.0000002E-04
 C    2.021500      -1.677700     -1.9999999E-04
 C   -2.315900     -4.8900001E-02   0.000000    
 C   -2.354000       1.356100      3.9999999E-04
 C    4.225600     -0.6320000      7.9999998E-04
 C    3.415900      -1.780800      3.9999999E-04
 H    1.606000       2.580500      0.9052000    
 H    1.606300       2.581000     -0.9051000    
 H   -1.045700      -1.819700     -6.0000003E-04
 H   -1.205200       3.187200      3.0000001E-04
 H    4.283400       1.528700      8.9999998E-04
 H    1.410000      -2.573800     -3.0000001E-04
 H   -3.295400       1.901100      8.9999998E-04
 H    5.307000     -0.7396000      1.3000000E-03
 H    3.881900      -2.762800      7.9999998E-04


%chk=000094787-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094787

0 1
O -4.717453 -0.144909 -0.000398
O -3.530160 -2.090883 -0.000539
N -3.603994 -0.800611 0.000041
C 1.442237 2.009005 0.000247
C 0.027738 1.447471 0.000204
C 0.073003 0.016472 0.000170
C 2.309257 0.754509 0.000245
C 1.484526 -0.411297 0.000197
C -1.115027 -0.739149 0.000118
C -1.203807 2.127280 0.000188
C 3.709893 0.636309 0.000280
C 2.059072 -1.701310 0.000186
C -2.336797 -0.029404 0.000111
C -2.405117 1.384128 0.000139
C 4.286986 -0.658349 0.000268
C 3.467891 -1.815749 0.000222
H 1.629755 2.645195 0.887527
H 1.629794 2.645221 -0.887008
H -1.126259 -1.832089 0.000087
H -1.241019 3.221667 0.000210
H 4.350643 1.525376 0.000315
H 1.431639 -2.599501 0.000150
H -3.384637 1.868653 0.000127
H 5.377070 -0.767856 0.000297
H 3.933065 -2.807479 0.000214


