%chk=000177363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177363

0 1
 O   -2.475600     -0.1110000      -1.436700    
 O    2.588500      -2.007700     -9.3699999E-02
 O    3.916400     -0.8022000       1.297000    
 N   -4.677500      0.9656000      0.4955000    
 C   0.9849000       1.070200      0.8340000    
 C    2.285800       1.433100      0.1090000    
 C  -0.1791000      0.6433000     -6.4800002E-02
 C    2.955600      0.2857000     -0.6628000    
 C   -1.473200      0.3747000      0.7035000    
 C   -2.618100     -3.6699999E-02 -0.2140000    
 C    4.261900      0.7132000      -1.331800    
 C   -3.980000     -0.3136000      0.4108000    
 C    3.216100     -0.8667000      0.2951000    
 C   -4.805800      -1.347800     -0.3411000    
 H    1.174500      0.2868000       1.577200    
 H   0.6690000       1.952800       1.405500    
 H    2.084800       2.259300     -0.5847000    
 H    2.988700       1.824100      0.8567000    
 H   9.8399997E-02 -0.2612000     -0.6190000    
 H  -0.3565000       1.424600     -0.8146000    
 H    2.275400     -6.0699999E-02  -1.450100    
 H   -1.315000     -0.4323000       1.427000    
 H   -1.775800       1.276700       1.245700    
 H    4.987600       1.073000     -0.5942000    
 H    4.083200       1.515300      -2.055000    
 H    4.719800     -0.1296000      -1.860900    
 H   -3.809500     -0.6945000       1.424300    
 H   -5.035000      -1.018300      -1.360900    
 H   -4.258200      -2.293300     -0.4192000    
 H   -5.752800      -1.544200      0.1729000    
 H   -4.814300       1.353400     -0.4370000    
 H   -4.118900       1.640200       1.015600    
 H    2.763800      -2.749400      0.5238000    


%chk=000177363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177363

0 1
O -2.709469 1.169206 -1.319575
O 2.158800 -2.087907 -0.336337
O 3.956344 -1.338940 0.923434
N -5.271495 0.620762 -0.154945
C 1.026031 0.969648 0.981325
C 2.374219 1.289245 0.292214
C -0.166597 0.852427 0.006007
C 2.889564 0.201330 -0.699778
C -1.502626 0.625256 0.739282
C -2.732740 0.654192 -0.168456
C 4.227323 0.636565 -1.347370
C -4.039071 0.016238 0.379878
C 3.091241 -1.107337 0.049401
C -4.013406 -1.498097 0.039373
H 1.120172 0.034757 1.571573
H 0.815473 1.775146 1.714922
H 2.278837 2.235740 -0.276627
H 3.155502 1.447943 1.061048
H -0.004109 0.016451 -0.699914
H -0.246834 1.768873 -0.609045
H 2.134375 0.029028 -1.485630
H -1.492371 -0.327141 1.307664
H -1.654983 1.418672 1.505572
H 5.009932 0.749965 -0.576730
H 4.096894 1.604541 -1.863253
H 4.578813 -0.102875 -2.088892
H -4.045316 0.123453 1.482719
H -4.015910 -1.640769 -1.056955
H -3.120221 -2.001577 0.451226
H -4.917485 -1.972296 0.455632
H -5.281518 0.599569 -1.183592
H -5.421956 1.581980 0.175883
H 2.331685 -2.921246 0.183046


