%chk=000178851.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178851

0 1
 O   -2.952400       1.599900     -0.4289000    
 O   -1.994700      -4.084400     -9.2600003E-02
 O    5.882700     -0.6192000      9.8499998E-02
 O   -4.063200     -0.1053000      0.6267000    
 O   -3.756400      -2.619000     -1.9900000E-02
 N   0.3551000     -0.8814000      7.7299997E-02
 N  -0.2495000      -2.080100      1.4200000E-02
 C  -0.5101000      0.1749000      0.1315000    
 C   -1.770200     -0.3778000      0.1008000    
 C  -9.9100001E-02   1.555800      0.2048000    
 C    1.749600     -0.8155000      8.2800001E-02
 C   -1.547600      -1.766000      2.8800000E-02
 C   0.1007000       2.287800     -0.9657000    
 C   9.7800002E-02   2.159200       1.446900    
 C   -3.010400      0.3408000      0.1364000    
 C    2.434700     -0.7197000      -1.121000    
 C    2.431400     -0.8465000       1.291600    
 C   -2.528800      -2.813200     -2.7600000E-02
 C    3.828000     -0.6536000      -1.115800    
 C    3.824700     -0.7803000       1.296900    
 C    4.523200     -0.6840000      9.3300000E-02
 C   0.4973000       3.623200     -0.8940000    
 C   0.4942000       3.494700       1.518600    
 C   0.6940000       4.226500      0.3482000    
 C   -4.157800       2.373100     -0.4273000    
 C   -3.887500       3.709200      -1.085800    
 C   -2.918600      -5.177100     -0.1509000    
 C    6.533000     -0.5219000      -1.167600    
 H  -4.8999999E-02   1.832500      -1.941800    
 H  -5.4099999E-02   1.602600       2.368700    
 H    1.903400     -0.6952000      -2.069100    
 H    1.898800     -0.9213000       2.236100    
 H    4.307000     -0.5797000      -2.086200    
 H    4.360600     -0.8040000       2.241900    
 H   0.6523000       4.193300      -1.805200    
 H   0.6473000       3.964600       2.485600    
 H    1.002500       5.266400      0.4039000    
 H   -4.488200       2.528200      0.6056000    
 H   -4.934600       1.835800     -0.9820000    
 H   -3.533700       3.568100      -2.112400    
 H   -3.099800       4.249600     -0.5503000    
 H   -4.789900       4.326400      -1.104000    
 H   -2.344300      -6.106000     -0.1979000    
 H   -3.541200      -5.192500      0.7484000    
 H   -3.537600      -5.099400      -1.049500    
 H    6.265300      0.4044000      -1.687300    
 H    7.610100     -0.4806000     -0.9755000    
 H    6.351800      -1.410100      -1.782400    


%chk=000178851-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178851

0 1
O -3.693484 0.919646 -0.431718
O -2.309067 -2.930654 -1.323593
O 6.221274 -0.957988 -0.035436
O -2.925822 1.879904 1.548347
O -3.649472 -1.941188 0.308535
N 0.600598 -0.310501 -0.039208
N -0.165488 -1.422458 -0.384113
C -0.180422 0.783216 0.364141
C -1.520006 0.335378 0.283048
C 0.370276 2.132201 0.622634
C 2.032898 -0.457852 -0.060397
C -1.455749 -1.017178 -0.194641
C 1.312425 2.701390 -0.280188
C -0.048822 2.887597 1.750408
C -2.741792 1.122864 0.560599
C 2.622603 -1.221455 -1.090139
C 2.838140 0.096630 0.965728
C -2.582363 -1.969954 -0.351066
C 4.019465 -1.415811 -1.119557
C 4.229343 -0.087103 0.936282
C 4.827843 -0.840049 -0.106638
C 1.833417 3.990599 -0.051026
C 0.479661 4.177402 1.976562
C 1.423149 4.732511 1.082307
C -5.050680 1.487748 -0.167257
C -5.964917 0.950958 -1.263253
C -3.355042 -3.966966 -1.490248
C 6.890606 -1.744655 -1.075848
H 1.625745 2.138335 -1.165841
H -0.795702 2.468383 2.429873
H 1.981210 -1.672417 -1.852320
H 2.381217 0.659542 1.783947
H 4.457702 -2.011563 -1.925149
H 4.870610 0.331667 1.716946
H 2.554150 4.417571 -0.756855
H 0.148462 4.748386 2.850676
H 1.830287 5.733914 1.261339
H -4.971976 2.590133 -0.176376
H -5.364954 1.167875 0.842208
H -5.995984 -0.151268 -1.230903
H -5.612833 1.264493 -2.261098
H -6.990768 1.336551 -1.118544
H -2.967110 -4.628361 -2.277202
H -3.504889 -4.516068 -0.545208
H -4.308915 -3.502754 -1.793247
H 6.732178 -1.301958 -2.078344
H 7.959093 -1.708454 -0.818831
H 6.540705 -2.795038 -1.072537


