%chk=000151410.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151410

0 1
 O   0.2636000     -0.7742000      -1.569000    
 O    1.223000       2.580400      0.8695000    
 O  -0.1718000       3.878800     -0.3465000    
 N  -8.8299997E-02  0.3596000      0.4259000    
 N   0.2214000      -3.017700      0.3290000    
 N    6.987500      5.3599998E-02 -0.4117000    
 C    2.467600      -1.977000      6.8499997E-02
 C    1.005200      -1.796300      0.5024000    
 C    3.318200     -0.7169000      0.2587000    
 C  -0.7208000       1.532800     -0.1331000    
 C    4.772600     -0.9631000     -0.1518000    
 C   0.3555000     -0.7061000     -0.3449000    
 C   -2.127300       1.731800      0.4467000    
 C    5.612200      0.3038000      3.1999999E-03
 C   -3.034900      0.5487000      0.2100000    
 C   0.1211000       2.777300      0.1068000    
 C   -3.815700      0.4886000     -0.9444000    
 C   -3.092500     -0.4845000       1.145500    
 C   -4.654000     -0.6044000      -1.163300    
 C   -3.930900      -1.577500      0.9264000    
 C   -4.711700      -1.637500     -0.2280000    
 H    2.510100      -2.278500     -0.9867000    
 H    2.912600      -2.797600      0.6463000    
 H   0.9839000      -1.525800       1.564300    
 H    2.913500      0.1064000     -0.3410000    
 H    3.279900     -0.4029000       1.308800    
 H  -0.7801000       1.408000      -1.221100    
 H    5.194300      -1.768400      0.4629000    
 H    4.804800      -1.302500      -1.195000    
 H   -2.588700       2.632600      2.0400001E-02
 H   -2.066100       1.926600       1.526600    
 H   7.0500001E-02  0.3506000       1.429100    
 H    5.196000       1.109500     -0.6109000    
 H    5.602200      0.6396000       1.045900    
 H   0.6437000      -3.773500      0.8668000    
 H  -0.7128000      -2.881800      0.7138000    
 H   -3.777300       1.286200      -1.681400    
 H   -2.491400     -0.4501000       2.050200    
 H    7.545800      0.8914000     -0.2536000    
 H    7.395100     -0.6757000      0.1721000    
 H   -5.261400     -0.6516000      -2.062500    
 H   -3.975500      -2.382100       1.654500    
 H   -5.364200      -2.488800     -0.3986000    
 H    1.732500       3.408500      0.9992000    


%chk=000151410-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151410

0 1
O 0.478313 0.041051 -1.365974
O 0.132480 3.227031 1.887244
O -0.725791 4.377738 0.058315
N -0.217070 0.817522 0.716345
N 0.058608 -2.372326 0.634976
N 7.246852 -0.813264 -0.892907
C 2.363124 -1.754859 -0.003312
C 1.048784 -1.290907 0.659971
C 3.513452 -0.733072 0.124123
C -0.996086 1.924497 0.172964
C 4.839729 -1.261999 -0.465600
C 0.439429 -0.091352 -0.108407
C -2.527333 1.810585 0.511555
C 5.995837 -0.247833 -0.349253
C -3.092372 0.433258 0.194326
C -0.516319 3.295809 0.643310
C -3.039852 -0.095232 -1.121795
C -3.677393 -0.353361 1.218811
C -3.562464 -1.374995 -1.405388
C -4.204813 -1.635940 0.938125
C -4.148364 -2.150803 -0.377253
H 2.147757 -1.955576 -1.068684
H 2.669680 -2.715090 0.463286
H 1.294511 -0.939162 1.698900
H 3.228935 0.201597 -0.399259
H 3.665432 -0.469737 1.192998
H -0.860944 1.884724 -0.923098
H 5.124320 -2.200588 0.057927
H 4.708457 -1.522165 -1.533073
H -3.048339 2.599462 -0.064101
H -2.677050 2.038386 1.584441
H -0.140482 0.722458 1.730501
H 5.742047 0.653113 -0.940964
H 6.072786 0.082057 0.718296
H 0.389561 -3.310693 0.852337
H -0.906464 -2.161391 0.888147
H -2.569385 0.483003 -1.925754
H -3.726861 0.042150 2.241183
H 8.008792 -0.138767 -1.008434
H 7.557098 -1.665760 -0.415769
H -3.501979 -1.771409 -2.424617
H -4.659720 -2.227147 1.741103
H -4.552676 -3.144711 -0.599212
H 0.393169 4.143998 2.173671


