%chk=000057253.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057253

0 1
 O   -2.648800      -1.771500       1.572000    
 O   -3.737600     -0.5756000      -1.662200    
 O    1.950900       2.752600      4.2300001E-02
 O  -0.2133000       3.121200      0.1774000    
 N   0.7691000       2.355400      9.8399997E-02
 C   -2.440700      -1.450200      0.1961000    
 C   -1.031600     -0.9162000      8.0100000E-02
 C  -0.7898000      0.4665000      0.1157000    
 C   -3.519500     -0.4481000     -0.2580000    
 C   0.5267000      0.9436000      7.0100002E-02
 C   5.1100001E-02  -1.804300     -1.2000001E-03
 C    1.614100      5.8300000E-02 -1.9099999E-02
 C    1.372900      -1.333900     -5.6400001E-02
 C   -1.910100       1.406900      0.2024000    
 C   -3.167000      0.9860000      1.0500000E-02
 C    2.937200      0.5270000     -7.1099997E-02
 C    2.461000      -2.217800     -0.1435000    
 C    4.006600     -0.3647000     -0.1587000    
 C    3.768800      -1.735100     -0.1950000    
 H   -2.527400      -2.375300     -0.3873000    
 H   -4.466200     -0.6821000      0.2434000    
 H  -0.1424000      -2.875900     -1.5500000E-02
 H   -1.922200       2.381900      0.6596000    
 H   -3.991300       1.680800      0.1510000    
 H    3.359100       1.514600     -4.8700001E-02
 H    2.298500      -3.293400     -0.1724000    
 H   -3.521000      -2.195200       1.644900    
 H   -4.467700      1.9200001E-02  -1.905700    
 H    5.027800      5.1000002E-03 -0.1968000    
 H    4.601100      -2.429600     -0.2622000    


%chk=000057253-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000057253

0 1
O -2.615084 -1.775291 1.715516
O -3.842379 -0.612248 -1.642644
O 1.637724 2.891777 0.923167
O 0.028059 3.187749 -0.661935
N 0.730451 2.434889 0.122984
C -2.487933 -1.453049 0.273519
C -1.081529 -0.905192 0.108560
C -0.852062 0.520148 0.155492
C -3.597810 -0.473544 -0.180886
C 0.484264 0.974428 0.096647
C -0.011515 -1.783001 -0.025460
C 1.620744 0.093901 -0.011013
C 1.343126 -1.326848 -0.091868
C -2.013409 1.414580 0.300267
C -3.295283 0.960790 0.175786
C 2.986414 0.527343 -0.089540
C 2.425240 -2.252818 -0.238440
C 4.018559 -0.402499 -0.241104
C 3.743989 -1.803014 -0.311919
H -2.605812 -2.373963 -0.335615
H -4.557026 -0.795750 0.263378
H -0.204499 -2.861800 -0.061497
H -1.837253 2.477180 0.484050
H -4.138710 1.652845 0.269528
H 3.225047 1.590015 -0.011206
H 2.196910 -3.323328 -0.293380
H -3.491499 -2.217371 1.865097
H -3.183067 -0.048739 -2.124958
H 5.054462 -0.051942 -0.298979
H 4.568181 -2.515048 -0.423448


