%chk=000078430.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078430

0 1
 O    1.214800      -1.821900      0.1657000    
 O   -1.226600      -2.469500      8.5600004E-02
 O   -2.795700       2.635800     -6.4800002E-02
 O   -5.259600       1.977200     -0.1425000    
 O    7.198200     -0.6624000      0.3910000    
 N  -0.3653000       3.517300      1.4800000E-02
 N   -3.654900      -3.350100      1.1100000E-02
 C  -0.5894000     -0.2141000      7.0799999E-02
 C  -0.9943000       1.121800      3.2200001E-02
 C   -3.024300     -0.9542000     -7.3000002E-03
 C   -3.429100      0.3817000     -4.6100002E-02
 C    1.725000      0.4909000      0.1439000    
 C   0.7735000     -0.5295000      0.1267000    
 C   -1.589600      -1.300900      5.2700002E-02
 C   -2.428800       1.468600     -2.8200001E-02
 C  -3.6100000E-02   2.142600      5.0099999E-02
 C    1.321100       1.823900      0.1057000    
 C    3.143100      0.1924000      0.2029000    
 C   -3.982400      -1.975000     -2.5300000E-02
 C   -4.792100      0.6969000     -0.1027000    
 C   -5.339500      -1.656400     -8.2300000E-02
 C   -5.743500     -0.3233000     -0.1206000    
 C    3.867700      2.8400000E-02 -0.9757000    
 C    3.775200      7.0500001E-02   1.438200    
 C    5.231300     -0.2592000     -0.9185000    
 C    5.139000     -0.2171000       1.495300    
 C    5.867000     -0.3819000      0.3170000    
 C    5.995400     -0.4324000      -2.189700    
 H    2.065000       2.619200      0.1196000    
 H   -6.096600      -2.436800     -9.7199999E-02
 H   -6.803400     -8.6599998E-02 -0.1647000    
 H    3.371100      0.1239000      -1.939200    
 H    3.221900      0.1956000       2.365800    
 H   0.3697000       4.212400      2.9300001E-02
 H   -1.328300       3.818500     -2.6300000E-02
 H   0.4763000      -2.442400      0.2485000    
 H    5.621400     -0.3100000       2.464800    
 H   -2.692200      -3.652300      5.4000001E-02
 H   -4.390800      -4.044100     -3.7000000E-03
 H    6.430300      -1.436200      -2.238100    
 H    5.357800     -0.3072000      -3.071500    
 H    6.797400      0.3102000      -2.255200    
 H   -4.528500       2.612000     -0.1209000    
 H    7.461300     -0.7092000       1.326100    


%chk=000078430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078430

0 1
O 1.205133 -1.685409 -0.361269
O -1.112365 -2.433838 -0.552566
O -3.005317 2.675340 0.575420
O -5.353345 1.908419 0.382395
O 7.403814 -0.257328 0.086872
N -0.544144 3.520592 0.793120
N -3.562459 -3.290270 -0.763379
C -0.633248 -0.128966 -0.037395
C -1.107079 1.198083 0.266518
C -3.006717 -0.958312 -0.239483
C -3.471674 0.374325 0.055116
C 1.740231 0.625379 0.178348
C 0.768934 -0.416267 -0.086732
C -1.581309 -1.214095 -0.285520
C -2.528591 1.460304 0.308403
C -0.141904 2.234540 0.515185
C 1.250640 1.911786 0.460480
C 3.204991 0.371773 0.174490
C -3.965729 -2.005636 -0.481083
C -4.872145 0.654072 0.105130
C -5.366864 -1.686483 -0.422599
C -5.808177 -0.396313 -0.138458
C 3.814505 -0.563927 -0.711334
C 4.051159 1.098457 1.057173
C 5.208474 -0.772024 -0.751143
C 5.444977 0.905166 1.047283
C 6.017923 -0.019996 0.144169
C 5.846830 -1.764476 -1.699492
H 1.969349 2.724890 0.615009
H -6.096829 -2.483489 -0.607283
H -6.874182 -0.155067 -0.094043
H 3.179047 -1.147049 -1.381371
H 3.616308 1.789903 1.786911
H 0.140094 4.253554 0.965375
H -1.564647 3.689201 0.812115
H 0.319809 -2.271678 -0.492414
H 6.080802 1.460934 1.748951
H -2.543083 -3.458571 -0.791216
H -4.247079 -4.023564 -0.933013
H 6.387830 -2.552125 -1.143209
H 5.086789 -2.245856 -2.336975
H 6.594894 -1.272875 -2.348039
H -4.497840 2.511212 0.525031
H 7.884691 0.302785 0.745822


