%chk=000044374.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044374

0 1
 O   -3.426500      -2.333600     -1.2000001E-03
 O   -1.506000      -3.397000     -6.9999998E-04
 N   -2.179500      -2.347500     -3.9999999E-04
 C   0.6107000      0.1380000       0.000000    
 C    2.034100      0.1192000       0.000000    
 C  -0.1047000       1.365200     -1.9999999E-04
 C  -8.6300001E-02  -1.089600      3.0000001E-04
 C   -1.542900       1.346700       0.000000    
 C    2.760400       1.329500     -3.0000001E-04
 C   -2.216800      0.1002000      9.9999997E-05
 C    2.736900      -1.110400      3.0000001E-04
 C   -1.483900      -1.091100      3.0000001E-04
 C   0.6648000       2.551100     -3.0000001E-04
 C   0.6243000      -2.297500      7.9999998E-04
 C    2.062000       2.536400     -3.9999999E-04
 C    2.017700      -2.308800      6.0000003E-04
 C    4.163200       1.302000     -3.0000001E-04
 C    4.139500      -1.110000      1.9999999E-04
 C   -2.355800       2.508900      9.9999997E-05
 C   -3.621800      4.6799999E-02  3.9999999E-04
 C    4.847300      8.9299999E-02 -9.9999997E-05
 C   -3.751700       2.442300      3.9999999E-04
 C   -4.385100       1.209900      5.0000002E-04
 H   0.1908000       3.529400     -3.9999999E-04
 H   0.3376000      -3.331800      2.4999999E-03
 H    2.593600       3.485800     -6.0000003E-04
 H    2.541700      -3.263300      1.2000001E-03
 H    4.735900       2.227100     -5.0000002E-04
 H    4.694600      -2.045800      5.0000002E-04
 H   -1.916000       3.502900       0.000000    
 H   -4.344300     -0.7460000      1.9000000E-03
 H    5.933400      7.8599997E-02 -9.9999997E-05
 H   -4.337800       3.356700      6.0000003E-04
 H   -5.470600       1.160700      1.0000000E-03


%chk=000044374-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044374

0 1
O -3.581070 -2.522977 -0.005776
O -1.640267 -3.635293 0.002764
N -2.283069 -2.505812 -0.002379
C 0.602121 0.068447 -0.000019
C 2.049960 0.102817 0.000086
C -0.121190 1.307395 -0.000529
C -0.108023 -1.213191 0.000188
C -1.573570 1.298190 -0.000121
C 2.761267 1.355984 -0.000494
C -2.308956 0.042204 -0.000159
C 2.819614 -1.111072 0.000762
C -1.547994 -1.208175 -0.000659
C 0.620681 2.545097 -0.001218
C 0.724035 -2.409921 0.000985
C 2.003426 2.574174 -0.001216
C 2.103310 -2.356048 0.001318
C 4.186146 1.371611 -0.000405
C 4.238193 -1.063915 0.000881
C -2.297472 2.536304 0.000500
C -3.748992 0.137982 0.001019
C 4.920526 0.171970 0.000287
C -3.689293 2.585038 0.001385
C -4.414839 1.365018 0.001826
H 0.088111 3.496814 -0.001802
H 0.232721 -3.376538 0.001415
H 2.536707 3.531692 -0.001755
H 2.674647 -3.291766 0.002032
H 4.704940 2.337019 -0.000889
H 4.800397 -2.004731 0.001422
H -1.753074 3.482051 0.000485
H -4.333842 -0.774795 0.001200
H 6.014865 0.195975 0.000356
H -4.211257 3.547451 0.001914
H -5.509958 1.375298 0.002799


