%chk=000085384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085384

0 1
 O    3.494900       1.058500     -2.9000000E-03
 O   -3.017500       1.261300     -3.1999999E-03
 N   -1.756100     -0.7306000      1.1000000E-03
 C    1.934700     -0.7617000     -5.0000002E-04
 C  -0.4339000     -0.2851000      2.6000000E-03
 C   0.6128000      -1.207100      7.9999998E-04
 C    2.209700      0.6059000     -9.9999997E-05
 C  -0.1589000       1.082300      3.1000001E-03
 C    1.162900       1.527800      1.7000000E-03
 C    3.042800      -1.762300     -1.2000001E-03
 C   -2.927900      3.7799999E-02 -9.9999997E-05
 C   -4.163500     -0.8269000     -1.5000000E-03
 H   0.3958000      -2.273000      1.9999999E-04
 H  -0.9148000       1.855200      4.6000001E-03
 H    1.363900       2.596000      1.8000000E-03
 H    3.667100      -1.637700     -0.8920000    
 H    3.664000      -1.642100      0.8925000    
 H    2.666300      -2.790900     -4.4999998E-03
 H   -1.873800      -1.741700      5.0000002E-04
 H   -4.185800      -1.437600     -0.9084000    
 H   -5.056900     -0.1970000      2.5100000E-02
 H   -4.162500      -1.477300      0.8777000    
 H    3.489100       2.031100     -2.6000000E-03


%chk=000085384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085384

0 1
O 3.602215 0.983748 -0.001178
O -3.070061 1.267273 0.003543
N -1.799095 -0.708083 0.001411
C 1.950467 -0.767022 -0.000030
C -0.463267 -0.204423 0.000672
C 0.594995 -1.154259 0.000602
C 2.236308 0.626101 -0.000618
C -0.155631 1.179471 0.000058
C 1.196425 1.580670 -0.000602
C 3.079303 -1.775788 0.000053
C -3.000816 0.002082 0.001463
C -4.242965 -0.893086 -0.001550
H 0.361097 -2.227927 0.001022
H -0.965742 1.909760 0.000303
H 1.434593 2.652751 -0.001053
H 3.730693 -1.640700 -0.882770
H 3.728136 -1.643451 0.885221
H 2.692804 -2.809179 -0.002013
H -1.880091 -1.727707 0.001404
H -4.288285 -1.512757 -0.916553
H -5.135063 -0.251527 0.033152
H -4.257032 -1.568845 0.873831
H 3.703411 1.967796 -0.001667


