%chk=000135690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135690

0 1
 O    5.091800      -1.749300      -1.033800    
 O    7.586500       1.414200     -0.2813000    
 O   -2.233800       1.886300      -3.085700    
 N    4.593900     -0.7953000     -0.1830000    
 N    1.703000      -1.247200     -0.1910000    
 N   -1.605700     -0.4693000       1.048800    
 N   -3.003400      0.8003000      -2.707600    
 N   -1.566100       2.425200      -2.000200    
 C    3.866500      -1.448700      0.9715000    
 C    3.628100      0.1100000     -0.9155000    
 C    2.605300      -2.172300      0.5067000    
 C    2.371000     -0.6393000      -1.349200    
 C    5.747500      1.4100000E-02  0.3399000    
 C   0.4802000      -1.934400     -0.6043000    
 C  -0.2748000      -2.526300      0.5892000    
 C    6.504200      0.6545000     -0.8039000    
 C  -0.7266000      -1.497100       1.623500    
 C   -2.850300     -0.9269000      0.5395000    
 C   -1.253300      0.8786000       1.325600    
 C   -3.460400     -0.3767000     -0.6088000    
 C   -1.424300       1.925100      0.3934000    
 C   -2.810100      0.6652000      -1.389700    
 C   -1.919800       1.671800     -0.9515000    
 C   -3.536600      -1.974900       1.199000    
 C  -0.7124000       1.217900       2.589000    
 C   -4.706100     -0.8690000      -1.050900    
 C   -1.067100       3.244900      0.7402000    
 C   -4.768600      -2.454000      0.7507000    
 C  -0.3619000       2.528000       2.919800    
 C   -5.355100      -1.898600     -0.3749000    
 C  -0.5415000       3.543300       1.994400    
 H    3.627000     -0.6519000       1.686000    
 H    4.575600      -2.147800       1.428900    
 H    4.127800      0.4802000      -1.813900    
 H    3.390200      0.9419000     -0.2425000    
 H    2.872200      -3.019800     -0.1375000    
 H    2.154200      -2.575900       1.417000    
 H    1.696100      7.7200003E-02  -1.832900    
 H    2.626800      -1.403000      -2.095100    
 H    5.349700      0.7637000       1.033400    
 H    6.390300     -0.6716000      0.9046000    
 H  -0.1763000      -1.236600      -1.136900    
 H   0.7100000      -2.743800      -1.310200    
 H   -1.149500      -3.051500      0.1853000    
 H   0.2975000      -3.318500       1.083200    
 H    6.911800     -8.0200002E-02  -1.504900    
 H    5.897300       1.362400      -1.371100    
 H   -1.182800      -1.988600       2.490000    
 H   0.1970000      -1.059300       2.022100    
 H    8.166600      0.8024000      0.2035000    
 H   -3.145200      -2.429000       2.105000    
 H  -0.5914000      0.4639000       3.364700    
 H   -5.191700     -0.4540000      -1.932100    
 H   -1.195600       4.063700      3.4800000E-02
 H   -5.268800      -3.254000       1.288300    
 H   4.0399998E-02   2.750600       3.903500    
 H   -6.314600      -2.263500     -0.7286000    
 H  -0.2745000       4.565500       2.244700    


%chk=000135690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135690

0 1
O 4.986329 -1.567673 -1.319674
O 7.783357 1.287290 -0.360109
O -1.983886 1.845535 -3.227182
N 4.557119 -0.739564 -0.234956
N 1.718955 -1.474146 -0.072290
N -1.579093 -0.443285 1.056187
N -2.805164 0.717770 -2.838948
N -1.336616 2.421216 -2.065635
C 3.994827 -1.622184 0.895352
C 3.430284 0.209227 -0.694642
C 2.786228 -2.405580 0.379322
C 2.233901 -0.614658 -1.172664
C 5.748837 0.064356 0.311714
C 0.461774 -2.173055 -0.443888
C -0.353337 -2.630966 0.785761
C 6.444534 0.866379 -0.803139
C -0.712559 -1.456823 1.722677
C -2.843497 -0.875313 0.528502
C -1.313099 0.937598 1.350763
C -3.377996 -0.370865 -0.699856
C -1.382821 1.966234 0.359716
C -2.652993 0.624431 -1.497845
C -1.757809 1.665168 -1.025834
C -3.571953 -1.888885 1.209990
C -0.894557 1.294151 2.662477
C -4.614467 -0.871460 -1.189828
C -1.042236 3.302047 0.704513
C -4.789890 -2.385297 0.705433
C -0.546117 2.620129 2.986590
C -5.321251 -1.873746 -0.501623
C -0.619850 3.635515 2.004115
H 3.714934 -0.976644 1.749598
H 4.813740 -2.305332 1.171738
H 3.843483 0.797055 -1.528002
H 3.149804 0.867656 0.148703
H 3.132588 -3.071856 -0.444536
H 2.403000 -3.033169 1.204276
H 1.434408 0.080469 -1.487876
H 2.561988 -1.211535 -2.054485
H 5.409555 0.715501 1.139406
H 6.446280 -0.696777 0.702395
H -0.153950 -1.463776 -1.027080
H 0.657875 -3.053358 -1.104050
H -1.264481 -3.149601 0.433331
H 0.217260 -3.372572 1.379146
H 6.469807 0.227254 -1.706903
H 5.920756 1.810971 -1.021415
H -1.156134 -1.840481 2.666670
H 0.230673 -0.943009 1.973700
H 8.400254 0.515692 -0.429484
H -3.183000 -2.284923 2.152702
H -0.858929 0.523192 3.438121
H -5.000056 -0.464211 -2.130099
H -1.106412 4.068634 -0.074545
H -5.327777 -3.161824 1.260461
H -0.234007 2.862653 4.008496
H -6.269748 -2.250224 -0.896909
H -0.358666 4.669269 2.250842


