%chk=000007078.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007078

0 1
 O   -2.083700      -1.971500      4.8999999E-02
 O    1.681000       1.428500     -0.3842000    
 O    3.921600      0.5983000       1.107300    
 N   0.2430000     -0.4192000     -0.1920000    
 C   -1.034800      0.1817000     -8.9599997E-02
 C   -2.164800     -0.6108000      2.9100001E-02
 C    2.621800     -0.7621000     -0.3986000    
 C    1.469300      0.2205000     -0.3154000    
 C   -1.122700       1.564400     -0.1102000    
 C   -3.416900     -4.3000001E-03  0.1298000    
 C   -2.374900       2.170800     -9.4999997E-03
 C   -3.522000       1.386400      0.1104000    
 C    3.906500     -0.2534000      0.2198000    
 C    5.184800     -0.8383000     -0.3208000    
 C   -3.308200      -2.691000      0.1748000    
 H    2.792600     -0.9622000      -1.462100    
 H    2.370200      -1.705200      9.7599998E-02
 H   0.2393000      -1.436600     -0.1715000    
 H  -0.2884000       2.243600     -0.1973000    
 H   -4.351100     -0.5468000      0.2254000    
 H   -2.458200       3.253700     -2.3800001E-02
 H   -4.496500       1.859900      0.1889000    
 H    5.161500      -1.926000     -0.2180000    
 H    6.036300     -0.4501000      0.2451000    
 H    5.299700     -0.5602000      -1.371300    
 H   -3.967400      -2.520800     -0.6833000    
 H   -3.802900      -2.483700       1.129900    
 H   -3.056500      -3.756800      0.1737000    


%chk=000007078-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007078

0 1
O -1.446519 -1.636823 0.523427
O 1.534063 1.734630 -1.524393
O 2.069781 -2.040633 0.449751
N 0.361210 -0.066201 -0.559268
C -0.935055 0.493160 -0.407968
C -1.922651 -0.358656 0.181121
C 2.740758 -0.354081 -1.182572
C 1.481003 0.544613 -1.086257
C -1.301483 1.804050 -0.796186
C -3.242116 0.093694 0.378263
C -2.628030 2.253427 -0.598042
C -3.594146 1.407952 -0.014480
C 3.001545 -1.339597 -0.041256
C 4.428749 -1.443335 0.462657
C -2.368988 -2.563516 1.177221
H 3.598368 0.320660 -1.330771
H 2.637625 -0.953809 -2.111921
H 0.486753 -1.024811 -0.186353
H -0.542879 2.448914 -1.243137
H -3.993683 -0.560751 0.829789
H -2.899188 3.269824 -0.902166
H -4.619740 1.760543 0.138642
H 5.128657 -1.610628 -0.377588
H 4.521416 -2.258595 1.196166
H 4.726342 -0.487910 0.936996
H -3.225149 -2.806108 0.518298
H -2.740895 -2.147286 2.133354
H -1.777146 -3.469927 1.369872


