%chk=000094030.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094030

0 1
 O   -3.751600       1.542400      9.9999997E-05
 O   0.4342000       2.450500     -1.9000000E-03
 O    1.516100      -2.792900       0.000000    
 N   -2.389700       1.800900      9.9999997E-05
 C  -0.3962000      0.2621000     -1.9999999E-04
 C  -0.1456000      -1.127900     -3.0000001E-04
 C   -1.764700      0.6079000      9.9999997E-05
 C   -2.767500     -0.4276000      1.9999999E-04
 C    2.079700      0.7701000     -9.9999997E-05
 C    2.356100     -0.5998000     -5.0000002E-04
 C   0.6845000       1.252600     -3.9999999E-04
 C    1.260500      -1.594800     -5.0000002E-04
 C   -1.191700      -2.111800     -3.0000001E-04
 C   -2.567200      -1.800000      9.9999997E-05
 C   -3.974000      0.2032000      3.0000001E-04
 C    3.129500       1.696200      7.9999998E-04
 C    3.685300      -1.040600     -1.9999999E-04
 C   -5.378100     -0.2270000      8.9999998E-04
 C    4.451500       1.251100      1.2000001E-03
 C    4.728800     -0.1143000      6.0000003E-04
 H  -0.9292000      -3.170000     -5.0000002E-04
 H   -3.340700      -2.555300      9.9999997E-05
 H    2.939200       2.766100      1.2000001E-03
 H    3.929600      -2.099600     -3.9999999E-04
 H   -5.595800     -0.8277000      0.8894000    
 H   -6.060700      0.6287000     -1.7000000E-03
 H   -5.595100     -0.8326000     -0.8846000    
 H    5.265800       1.970000      2.0000001E-03
 H    5.759100     -0.4584000      8.9999998E-04


%chk=000094030-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094030

0 1
O -3.798964 1.601439 0.000309
O 0.409601 2.487574 0.001427
O 1.562370 -2.894503 -0.001399
N -2.335227 1.865632 -0.000009
C -0.409131 0.221370 -0.000375
C -0.114268 -1.160661 -0.000385
C -1.807690 0.598655 -0.000004
C -2.836041 -0.437669 0.000065
C 2.089580 0.758466 -0.000060
C 2.396986 -0.631638 0.000058
C 0.671699 1.244159 -0.001243
C 1.308349 -1.647417 0.000509
C -1.144977 -2.168948 -0.000384
C -2.490787 -1.824153 -0.000135
C -4.060682 0.242300 0.000344
C 3.139681 1.707752 0.000367
C 3.748890 -1.056586 0.000312
C -5.491659 -0.184388 0.000752
C 4.482566 1.279109 0.000683
C 4.788367 -0.105810 0.000659
H -0.817880 -3.212414 -0.000268
H -3.271413 -2.591746 0.000032
H 2.875673 2.769859 0.000208
H 3.954266 -2.131585 0.000445
H -5.726139 -0.791016 0.894336
H -6.150679 0.698219 -0.002085
H -5.725065 -0.796106 -0.889611
H 5.291987 2.016716 0.000889
H 5.832686 -0.435111 0.000964


