%chk=000001353.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001353

0 1
 O    5.578700     -0.4472000      7.6200001E-02
 O   -1.975600      -1.801700     -0.1703000    
 N    3.868400       1.148300      0.3689000    
 N  -0.3276000     -0.1570000      9.5100001E-02
 N   -2.559200      0.4453000      0.1120000    
 N   -4.564900     -0.7882000     -0.1088000    
 C    2.415700       1.158700      0.4079000    
 C    2.078900       2.212300     -0.6359000    
 C    3.194600       3.246600     -0.4130000    
 C    4.431000       2.404300     -8.4200002E-02
 C    2.090200     -0.2706000      0.1605000    
 C    3.267500      -1.028500      0.1131000    
 C    4.416500     -0.1136000      0.2111000    
 C   0.8593000     -0.8843000      3.2000002E-02
 C    3.265500      -2.396500     -7.4900001E-02
 C   0.8316000      -2.270700     -0.1531000    
 C    2.023000      -3.019100     -0.2048000    
 C   -1.660800     -0.6274000     -5.2000000E-03
 C   -3.972900      0.4063000      6.6699997E-02
 C   -4.634600       1.607800      0.2066000    
 C   -6.024100       1.580300      0.1628000    
 C   -5.916200     -0.7754000     -0.1463000    
 C   -6.684900      0.3701000     -1.6700000E-02
 H    2.113200       1.470400       1.414900    
 H    1.080600       2.639100     -0.5047000    
 H    2.146500       1.806000      -1.653000    
 H    3.349400       3.896000      -1.279200    
 H    2.940200       3.881100      0.4448000    
 H    5.052300       2.221300     -0.9665000    
 H    5.041300       2.844400      0.7090000    
 H    4.183700      -2.969400     -0.1286000    
 H  -7.6700002E-02  -2.846800     -0.2659000    
 H    1.973900      -4.094800     -0.3533000    
 H  -0.2241000      0.8432000      0.2409000    
 H   -2.148700       1.366200      0.2455000    
 H   -4.112300       2.548100      0.3462000    
 H   -6.591100       2.500400      0.2683000    
 H   -6.383200      -1.744500     -0.2883000    
 H   -7.767200      0.3251000     -5.4000001E-02


%chk=000001353-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001353

0 1
O 5.671964 -0.310164 -0.035410
O -2.044621 -1.822012 0.130159
N 3.877528 1.212607 0.283889
N -0.354267 -0.173808 0.238651
N -2.570032 0.449239 0.580110
N -4.330821 -0.154567 -0.890797
C 2.391370 1.198205 0.250097
C 2.087103 2.121538 -0.967976
C 3.196031 3.210203 -0.847133
C 4.442952 2.461079 -0.268710
C 2.078066 -0.289606 0.188616
C 3.287624 -1.020768 0.168558
C 4.444587 -0.065841 0.137856
C 0.831527 -0.958512 0.196294
C 3.306702 -2.427281 0.133760
C 0.835591 -2.381575 0.154575
C 2.059374 -3.092522 0.128629
C -1.684277 -0.630623 0.285718
C -3.948482 0.472763 0.256055
C -4.856017 1.179254 1.093192
C -6.211679 1.235926 0.712484
C -5.651159 -0.112994 -1.223032
C -6.628401 0.572303 -0.466329
H 1.980569 1.655902 1.176810
H 1.072675 2.560404 -0.951514
H 2.199846 1.542248 -1.901902
H 3.415867 3.688047 -1.816250
H 2.872126 4.003892 -0.149083
H 5.190231 2.200717 -1.040826
H 4.955321 3.057596 0.506739
H 4.257941 -2.967179 0.110288
H -0.117126 -2.913545 0.128083
H 2.025156 -4.186997 0.097966
H -0.226509 0.834405 0.131341
H -2.238639 1.171488 1.222399
H -4.512342 1.650958 2.020599
H -6.933675 1.774668 1.335048
H -5.921086 -0.643392 -2.143345
H -7.673119 0.583543 -0.789809


