%chk=000048124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048124

0 1
 O   0.8821000     -0.1982000      0.4393000    
 O    7.224400      0.4622000     -0.1898000    
 O  -0.1760000     -6.0699999E-02  -1.609800    
 N    4.560100     -0.4535000      0.2159000    
 C   -1.457500     -4.2800002E-02  0.4356000    
 C   -2.326700      -1.248200      0.1460000    
 C   -2.158800       1.283100      0.2284000    
 C   -4.397700      0.1476000      0.5704000    
 C   -3.728100      -1.155000      0.2103000    
 C   -3.560400       1.371200      0.2928000    
 C    3.241600     -0.3684000      0.8407000    
 C    4.846000      0.7572000     -0.5661000    
 C    5.605200     -0.6570000       1.228800    
 C  -0.1980000     -9.9200003E-02 -0.3870000    
 C    2.153200     -0.2614000     -0.2153000    
 C    6.230800      0.6502000      -1.198200    
 C    6.972600     -0.7300000      0.5549000    
 C   -1.731900      -2.482700     -0.1590000    
 C   -1.405500       2.445700      1.6000000E-03
 C   -4.508400      -2.297700     -1.7000001E-02
 C   -4.182700       2.619200      0.1439000    
 C   -2.518600      -3.609400     -0.3967000    
 C   -2.036100       3.679100     -0.1591000    
 C   -3.905800      -3.517300     -0.3241000    
 C   -3.423600       3.765900     -8.6499996E-02
 H   -1.193800     -9.4899997E-02   1.501700    
 H   -5.330400      0.2283000     -2.7000001E-03
 H   -4.650600      0.1296000       1.637500    
 H    4.801800       1.647900      7.3899999E-02
 H    4.147100      0.8913000      -1.395700    
 H    5.428800      -1.590200       1.775800    
 H    5.599100      0.1684000       1.952600    
 H    3.171700      0.4798000       1.535000    
 H    3.049500      -1.266900       1.441400    
 H    2.174200      -1.134000     -0.8794000    
 H    2.242000      0.6519000     -0.8096000    
 H    6.283800     -0.1725000      -1.922000    
 H    6.470400       1.575900      -1.731300    
 H    7.757200     -0.8206000       1.312900    
 H    7.050600      -1.599700     -0.1090000    
 H  -0.6523000      -2.600700     -0.1945000    
 H  -0.3196000       2.422600     -3.0999999E-02
 H   -5.592400      -2.242700      4.4700000E-02
 H   -5.264800       2.703400      0.2067000    
 H   -2.048800      -4.560900     -0.6280000    
 H   -1.444100       4.573400     -0.3303000    
 H   -4.518800      -4.396000     -0.5016000    
 H   -3.914800       4.727400     -0.2040000    


%chk=000048124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048124

0 1
O 0.933043 -0.255410 0.323685
O 7.509942 0.360778 0.087446
O -0.008025 -0.218654 -1.803850
N 4.679308 -0.249132 0.333147
C -1.455941 -0.102535 0.217565
C -2.407764 -1.284510 -0.038185
C -2.196162 1.228711 -0.003835
C -4.069033 0.104283 1.265725
C -3.709869 -1.175453 0.521900
C -3.500095 1.324993 0.554389
C 3.292458 -0.161670 0.845974
C 5.146374 1.005479 -0.315640
C 5.655646 -0.684852 1.366066
C -0.149873 -0.197649 -0.561602
C 2.287738 -0.350097 -0.296831
C 6.538487 0.789753 -0.931760
C 7.039179 -0.880691 0.724657
C -2.047289 -2.448423 -0.753255
C -1.642757 2.333855 -0.687762
C -4.629895 -2.235454 0.361923
C -4.228602 2.528173 0.422874
C -2.970503 -3.508638 -0.902359
C -2.373915 3.537701 -0.807959
C -4.263457 -3.404939 -0.342468
C -3.668141 3.637748 -0.250218
H -1.172865 -0.140289 1.291197
H -5.162415 0.194147 1.389970
H -3.641070 0.055491 2.292474
H 5.197899 1.845243 0.422783
H 4.440223 1.298234 -1.114401
H 5.314691 -1.642909 1.801769
H 5.742351 0.062307 2.194630
H 3.085501 0.803157 1.369206
H 3.137983 -0.970246 1.583475
H 2.402143 -1.341203 -0.768454
H 2.371706 0.422298 -1.081642
H 6.473830 0.024320 -1.734831
H 6.940044 1.729588 -1.345153
H 7.798792 -1.129647 1.483911
H 6.984495 -1.692786 -0.032094
H -1.056669 -2.528029 -1.212494
H -0.651169 2.257662 -1.145791
H -5.637117 -2.144083 0.786177
H -5.238268 2.596165 0.845599
H -2.683449 -4.406114 -1.461328
H -1.938259 4.388958 -1.342645
H -4.983308 -4.222243 -0.461907
H -4.239925 4.567315 -0.346978


