%chk=000173882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173882

0 1
 O  -0.2143000      -1.750900       1.051700    
 O    2.407900       1.909100     -0.1537000    
 N   -1.239100      0.2268000      0.3713000    
 N    1.137600      4.0399998E-02  0.4608000    
 C   -1.114100       1.540900     -7.2300002E-02
 C  -0.1180000     -0.5837000      0.6578000    
 C   -2.579600     -0.3345000      0.5472000    
 C   8.6800002E-02   2.104400     -0.2491000    
 C    1.325100       1.353400      2.0400001E-02
 C    2.331500     -0.7508000      0.7400000    
 C   -2.355800       2.343600     -0.3588000    
 C   -3.070700     -0.9926000     -0.7053000    
 C    2.796800      -1.494500     -0.4740000    
 C   -3.389700      -2.289000     -0.7934000    
 C    3.995500      -1.322400      -1.042600    
 H   -3.293900      0.4184000      0.8918000    
 H   -2.534500      -1.071100       1.360000    
 H   0.1971000       3.127200     -0.5936000    
 H    2.120700      -1.474200       1.535900    
 H    3.120400     -8.9400001E-02   1.118300    
 H   -2.934600       2.514100      0.5547000    
 H   -2.988200       1.863900      -1.110300    
 H   -2.109500       3.335800     -0.7560000    
 H   -3.185500     -0.3794000      -1.594600    
 H    2.118300      -2.226000     -0.9056000    
 H   -3.745000      -2.704800      -1.729900    
 H   -3.302300      -2.954500      5.8100000E-02
 H    4.275400      -1.897500      -1.918500    
 H    4.712900     -0.6104000     -0.6500000    


%chk=000173882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173882

0 1
O -0.240909 -1.679702 1.077719
O 2.501875 1.949100 -0.084009
N -1.261320 0.323968 0.398784
N 1.129388 0.129313 0.501833
C -1.144394 1.651944 -0.039655
C -0.120976 -0.483948 0.680800
C -2.579017 -0.372266 0.519567
C 0.102607 2.215376 -0.206926
C 1.331961 1.481664 0.051167
C 2.336932 -0.708203 0.775072
C -2.409020 2.440208 -0.297193
C -3.000016 -1.044066 -0.776838
C 2.667040 -1.628335 -0.386172
C -3.110472 -2.386650 -0.920921
C 3.796763 -1.523454 -1.127314
H -3.328457 0.369088 0.844797
H -2.467653 -1.128995 1.311590
H 0.207554 3.247570 -0.541801
H 2.122572 -1.299985 1.682090
H 3.163499 -0.005267 0.963586
H -2.983633 2.603358 0.633982
H -3.076409 1.935141 -1.018052
H -2.147789 3.427152 -0.708263
H -3.217385 -0.383066 -1.628998
H 1.931670 -2.417782 -0.592948
H -3.424638 -2.837479 -1.869058
H -2.873256 -3.069420 -0.096786
H 4.010251 -2.218808 -1.947356
H 4.534430 -0.734156 -0.938395


