%chk=000117192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117192

0 1
 O    1.280400     -0.2262000      0.4383000    
 O   -3.591600      0.1589000      0.2815000    
 O    2.467500      -1.609500     -0.9589000    
 O   -4.898500      -1.027600      -1.196200    
 N    3.522200     -0.3148000      0.6515000    
 N   -5.833400      0.4109000      0.3346000    
 C   -1.149500      7.8699999E-02  0.4434000    
 C   -1.024500       1.627700      0.3634000    
 C   7.0100002E-02 -0.6311000     -0.1883000    
 C   -2.422400     -0.4341000     -0.2685000    
 C   -1.227200     -0.2946000       1.942200    
 C  -0.9336000       2.205400      -1.043800    
 C    2.431700     -0.7944000     -4.3000001E-02
 C    4.883600     -0.7188000      0.3851000    
 C   -4.781100     -0.2252000     -0.2761000    
 C    5.560500      0.1697000     -0.6517000    
 C    5.645800       1.624900     -0.2135000    
 H   -1.882600       2.092000      0.8663000    
 H  -0.1381000       1.954200      0.9224000    
 H   0.1270000     -0.4158000      -1.261900    
 H  -3.6800001E-02  -1.717800     -7.2400004E-02
 H   -2.494900      -1.523500     -0.1516000    
 H   -2.376000     -0.2180000      -1.342600    
 H   -2.091500      0.1713000       2.428600    
 H  -0.3333000      3.2099999E-02   2.485100    
 H   -1.317100      -1.378900       2.073400    
 H   -1.824700       1.976000      -1.634500    
 H  -5.3399999E-02   1.836300      -1.577200    
 H  -0.8493000       3.296100     -0.9896000    
 H    5.425600     -0.6817000       1.336000    
 H    4.883400      -1.757100      3.6200002E-02
 H    3.357900      0.3638000       1.389000    
 H    5.017100      0.1162000      -1.602500    
 H    6.573000     -0.2068000     -0.8368000    
 H    4.651900       2.068700     -0.1002000    
 H    6.176100       1.716900      0.7396000    
 H    6.189400       2.211100     -0.9613000    
 H   -6.791500      0.2436000      4.6200000E-02
 H   -5.685100       1.068000       1.093200    


%chk=000117192-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117192

0 1
O 1.258278 -0.232566 0.493565
O -3.611917 0.203002 0.293172
O 2.502278 -1.641021 -0.938424
O -4.968280 -0.983413 -1.229356
N 3.523306 -0.297058 0.699844
N -5.860270 0.537130 0.324347
C -1.176259 0.025798 0.483292
C -1.026424 1.576229 0.373673
C 0.020411 -0.706175 -0.169137
C -2.424458 -0.476135 -0.279806
C -1.279738 -0.369906 1.979761
C -0.881354 2.152372 -1.051940
C 2.453233 -0.800297 -0.003211
C 4.907793 -0.677029 0.372740
C -4.840819 -0.157400 -0.292314
C 5.569704 0.235585 -0.688089
C 5.712322 1.703360 -0.233926
H -1.910379 2.029901 0.859966
H -0.142445 1.866450 0.971879
H 0.096265 -0.499773 -1.252782
H -0.057068 -1.802089 -0.035157
H -2.553732 -1.569378 -0.166121
H -2.375151 -0.248143 -1.360634
H -2.147298 0.124687 2.449138
H -0.364497 -0.070356 2.518586
H -1.404236 -1.463378 2.097198
H -1.760441 1.927460 -1.683152
H 0.018274 1.766002 -1.564618
H -0.785044 3.252732 -1.007302
H 5.498388 -0.658399 1.308671
H 4.885477 -1.716847 0.002188
H 3.331663 0.396555 1.422356
H 4.976029 0.179360 -1.619968
H 6.568822 -0.183847 -0.920652
H 4.724058 2.155963 -0.030077
H 6.322390 1.781147 0.686682
H 6.202073 2.314878 -1.012925
H -6.813238 0.383052 0.008485
H -5.660614 1.188148 1.079447


