%chk=000039688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039688

0 1
 O    3.984700       1.184400      1.2900000E-02
 O   -2.741000     -0.6244000      3.0000000E-03
 O   -2.383100      -2.877400      7.1999999E-03
 O    1.597500      -2.387600     -2.7200000E-02
 O  -0.1610000      -3.713700     -1.7200001E-02
 N    1.442600      9.9999997E-05 -2.1400001E-02
 N   0.3804000      -2.602700     -1.8100001E-02
 C    2.201800      0.1474000      -1.263200    
 C    2.259400     -4.7699999E-02   1.191500    
 C   0.1020000     -0.2507000     -9.8999999E-03
 C    3.148700       1.335000      -1.137200    
 C    3.204400       1.148000       1.210400    
 C  -0.8267000      0.9092000      1.4000000E-03
 C  -0.4795000      -1.462200     -8.3999997E-03
 C   -2.207400      0.6801000      5.7000001E-03
 C  -0.4107000       2.251400      9.9999998E-03
 C   -1.923000      -1.741700      1.8000000E-03
 C   -3.145400       1.717100      1.5400000E-02
 C   -1.339000       3.301100      2.0600000E-02
 C   -2.704800       3.034300      2.2800000E-02
 H    1.537800      0.2964000      -2.122800    
 H    2.789600     -0.7583000      -1.450200    
 H    2.873800     -0.9536000       1.218400    
 H    1.636400     -3.7400000E-02   2.093500    
 H    3.799200       1.384500      -2.016400    
 H    2.612400       2.287600      -1.075000    
 H    2.660300       2.093300       1.318000    
 H    3.893800       1.066600       2.056800    
 H   0.6412000       2.515200      1.8400000E-02
 H   -4.209900       1.501400      1.8500000E-02
 H  -0.9884000       4.329500      2.9100001E-02
 H   -3.420600       3.850400      3.1599998E-02


%chk=000039688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039688

0 1
O 4.175433 1.060550 0.070378
O -2.771960 -0.604107 0.170354
O -2.411284 -2.783839 0.801339
O 1.238157 -2.725962 -0.596516
O 0.336138 -3.378860 1.398541
N 1.427300 0.161175 0.009594
N 0.426826 -2.564121 0.406926
C 2.052811 0.803148 -1.183496
C 2.435385 -0.547817 0.836699
C 0.061956 -0.114931 0.060278
C 3.179596 1.759524 -0.755315
C 3.526866 0.461424 1.247504
C -0.902158 0.979736 -0.139942
C -0.455020 -1.384521 0.379009
C -2.294436 0.675674 -0.114700
C -0.535189 2.352536 -0.266124
C -1.879692 -1.700466 0.518738
C -3.279049 1.666985 -0.321999
C -1.504496 3.347837 -0.462556
C -2.881642 3.000982 -0.514021
H 1.291796 1.323711 -1.784917
H 2.481759 -0.008932 -1.806608
H 2.891112 -1.384444 0.270034
H 1.952691 -0.958018 1.741053
H 3.731628 2.129403 -1.634480
H 2.764315 2.623332 -0.190453
H 3.089484 1.259575 1.885308
H 4.331596 -0.051999 1.798092
H 0.515702 2.636493 -0.170377
H -4.331458 1.370617 -0.303855
H -1.200104 4.394816 -0.557037
H -3.638561 3.776102 -0.671451


