%chk=000096340.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096340

0 1
 O   -1.522900       1.051400     -0.1398000    
 O    3.534200      -3.796100      0.1584000    
 O    3.377700      -2.128400      -1.376400    
 N    3.891500       1.905600     -2.4800001E-02
 C    2.097100      0.6071000      0.2417000    
 C    3.265200     -0.1455000      0.5480000    
 C    2.517800       1.890200     -0.1145000    
 C   0.7178000      0.3190000      0.2332000    
 C    4.352300      0.6798000      0.3745000    
 C    3.313900      -1.558300      0.9748000    
 C  -0.1872000       1.322800     -0.1302000    
 C    1.624700       2.903700     -0.4799000    
 C   0.2614000       2.594600     -0.4810000    
 C   -1.918100     -0.2681000      0.2289000    
 C   -3.411100     -0.3787000      0.1269000    
 C    3.423900      -2.494800     -0.2088000    
 C   -4.200800     -7.5999998E-02   1.230600    
 C   -3.991500     -0.7822000      -1.070400    
 C   -5.588600     -0.1785000       1.135900    
 C   -5.379400     -0.8847000      -1.165100    
 C   -6.177900     -0.5828000     -6.1799999E-02
 H   0.4290000     -0.6854000      0.5159000    
 H    5.412300      0.5066000      0.4984000    
 H    4.474600       2.706300     -0.2253000    
 H    2.414700      -1.823700       1.541000    
 H    4.184200      -1.724700       1.620500    
 H    1.973000       3.894000     -0.7532000    
 H  -0.4545000       3.363900     -0.7610000    
 H   -1.620400     -0.4901000       1.262300    
 H   -1.472900      -1.013600     -0.4436000    
 H   -3.752800      0.2423000       2.167900    
 H   -3.379800      -1.017400      -1.937000    
 H   -6.210500      5.7300001E-02   1.994500    
 H   -5.838600      -1.198700      -2.097900    
 H   -7.258600     -0.6622000     -0.1357000    
 H    3.583800      -4.392700     -0.6187000    


%chk=000096340-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096340

0 1
O -1.446677 0.922007 -0.335021
O 1.986256 -2.912000 0.559889
O 4.180397 -3.135624 -0.169282
N 4.052766 1.899198 -0.489010
C 2.266923 0.615967 0.136385
C 3.483956 -0.017428 0.612369
C 2.653566 1.818975 -0.546245
C 0.891472 0.266942 0.232110
C 4.547922 0.791698 0.207576
C 3.591991 -1.304187 1.401597
C -0.052007 1.137444 -0.348743
C 1.700341 2.686868 -1.126247
C 0.345216 2.335764 -1.018666
C -1.924187 -0.301358 0.313225
C -3.434237 -0.382198 0.176488
C 3.340675 -2.526072 0.524717
C -4.148326 -1.303608 0.983613
C -4.142352 0.412928 -0.755480
C -5.548147 -1.436848 0.854280
C -5.544800 0.283140 -0.880887
C -6.252554 -0.642536 -0.080730
H 0.603178 -0.663267 0.727677
H 5.615895 0.652429 0.364850
H 4.617656 2.647122 -0.884211
H 2.867183 -1.311671 2.234654
H 4.607893 -1.408115 1.818077
H 1.994812 3.605470 -1.645090
H -0.437875 2.968386 -1.447015
H -1.630206 -0.301282 1.384367
H -1.444006 -1.181025 -0.169293
H -3.611018 -1.918527 1.717488
H -3.589165 1.132006 -1.365735
H -6.087874 -2.152733 1.484491
H -6.084083 0.906081 -1.603665
H -7.339310 -0.741799 -0.180116
H 1.852228 -3.680146 -0.060116


