%chk=000111124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111124

0 1
 O   0.7526000     -0.7988000      -1.170300    
 O   -3.061800     -0.3824000      0.2705000    
 O    4.794100      -2.460200      0.1852000    
 O   -1.385500      0.9425000       1.113100    
 O   0.9388000       5.203800      0.5540000    
 N    2.531300     -0.9206000      0.3158000    
 N   -1.065900      -1.320100      0.7083000    
 N    4.993700      -1.837900      -2.043900    
 N    5.832900      -2.889700      -2.348900    
 C   0.3077000      -1.417700       1.132700    
 C   0.6690000      -2.807200       1.699000    
 C    3.568600     -0.5253000     -0.6088000    
 C    1.195800      -1.025400     -4.6200000E-02
 C  -0.1882000      -3.206900       2.904700    
 C   0.5750000      -3.884800      0.6143000    
 C    4.324700      0.7206000     -0.1329000    
 C    3.422100       1.916300      4.9899999E-02
 C    4.524100      -1.705000     -0.7471000    
 C   -1.797600     -0.1489000      0.7338000    
 C    2.812100       2.146900       1.282900    
 C    3.197700       2.790500      -1.013600    
 C    1.977700       3.251700       1.452400    
 C    2.363400       3.895400     -0.8442000    
 C    1.753400       4.126000      0.3890000    
 C   -3.935600      0.7518000      0.2415000    
 C   -5.273100      0.3262000     -0.2889000    
 C   -5.529900      0.3813000      -1.658800    
 C   -6.259900     -0.1242000      0.5881000    
 C   -6.773500     -1.4000000E-02  -2.151800    
 C   -7.503500     -0.5195000      9.5100001E-02
 C   -7.760100     -0.4644000      -1.274900    
 H   0.4677000     -0.6653000       1.916600    
 H    1.709900      -2.790200       2.045400    
 H    3.108900     -0.3190000      -1.583100    
 H  -0.1215000      -2.449100       3.692200    
 H   0.1551000      -4.158200       3.325300    
 H   -1.242100      -3.322500       2.631200    
 H    1.231000      -3.668300     -0.2345000    
 H  -0.4453000      -4.005700      0.2377000    
 H   0.8876000      -4.854600       1.018400    
 H    2.807900      -1.122600       1.271700    
 H    4.841000      0.5128000      0.8147000    
 H    5.123200      0.9698000     -0.8443000    
 H   -1.520300      -2.140100      0.3192000    
 H    2.979200       1.474800       2.120400    
 H    3.665700       2.619600      -1.979400    
 H    4.748400      -1.191400      -2.787100    
 H    1.507900       3.419700       2.417800    
 H    2.191700       4.572400      -1.676600    
 H   -3.506200       1.533400     -0.3976000    
 H   -4.042900       1.162400       1.253200    
 H    5.395000      -3.405900      -3.110800    
 H    6.684700      -2.485600      -2.735900    
 H   -4.768500      0.7284000      -2.352200    
 H   -6.071200     -0.1737000       1.657200    
 H   0.6030000       5.208000       1.466800    
 H   -6.973400      2.8400000E-02  -3.218600    
 H   -8.271700     -0.8708000      0.7777000    
 H   -8.728200     -0.7725000      -1.658700    


%chk=000111124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111124

0 1
O 1.165008 -1.743226 -1.265329
O -3.108808 -1.610244 0.133945
O 5.075728 -0.425107 1.362936
O -2.100861 -1.144276 2.221341
O -2.138091 2.258333 -2.568454
N 2.485154 -0.851461 0.433160
N -0.913451 -2.112913 0.434737
N 5.859627 -0.636930 -0.820511
N 7.227239 -0.798082 -0.471481
C 0.414423 -2.051101 1.056680
C 0.894534 -3.423474 1.649024
C 3.450656 -0.212885 -0.465571
C 1.383045 -1.533571 -0.029879
C -0.031197 -3.857400 2.808141
C 0.992352 -4.526762 0.571617
C 3.193476 1.337892 -0.588904
C 1.796577 1.656173 -1.090058
C 4.855720 -0.448175 0.112401
C -2.023247 -1.582902 1.039624
C 0.715836 1.804008 -0.185259
C 1.520919 1.749797 -2.479410
C -0.603553 2.007403 -0.642509
C 0.213349 1.961208 -2.955669
C -0.855529 2.074692 -2.034976
C -4.380134 -1.016679 0.652261
C -4.429480 0.487109 0.461334
C -4.873581 1.043993 -0.765729
C -4.040630 1.357797 1.512555
C -4.930516 2.447752 -0.940867
C -4.101006 2.760027 1.342544
C -4.548069 3.309159 0.117498
H 0.354609 -1.325697 1.890638
H 1.910836 -3.242525 2.061352
H 3.321688 -0.677547 -1.460042
H -0.113805 -3.075632 3.584366
H 0.352461 -4.780726 3.279742
H -1.049927 -4.063929 2.433546
H 1.671447 -4.246577 -0.252689
H -0.003018 -4.731089 0.135756
H 1.362359 -5.465762 1.021979
H 2.665927 -0.747108 1.436342
H 3.368145 1.782690 0.409445
H 3.960655 1.751270 -1.272085
H -0.929505 -2.286032 -0.576731
H 0.902907 1.757553 0.894566
H 2.339294 1.645954 -3.203243
H 5.649601 -0.704867 -1.818086
H -1.428350 2.106254 0.074381
H -0.003368 2.025966 -4.026041
H -4.479885 -1.286290 1.717787
H -5.149689 -1.527933 0.052191
H 7.352915 -1.631538 0.120306
H 7.579041 0.042513 0.007667
H -5.173494 0.378967 -1.584364
H -3.675764 0.923757 2.449684
H -2.834876 2.246210 -1.858845
H -5.295748 2.868199 -1.884616
H -3.803516 3.422438 2.162819
H -4.599728 4.395525 -0.014319


