%chk=000159102.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159102

0 1
 O   -1.692500      -2.846400     -0.2027000    
 O    2.936900       2.290400     -9.1700003E-02
 N   -2.725600     -0.7574000     -0.2060000    
 N  -0.4063000     -0.9253000      4.6000001E-03
 N    1.093500      0.8300000     -3.8199998E-02
 N   -1.294600       1.284700     -1.5200000E-02
 N   0.8122000       3.163500     -9.6100003E-02
 C   -2.632100      0.6842000      0.1678000    
 C  -0.3014000      0.4755000     -1.7300000E-02
 C   0.8930000      -1.460600      3.6200002E-02
 C   -1.608400      -1.620500     -0.1159000    
 C    1.810000     -0.4009000      8.8999998E-03
 C   -3.583700       1.557800     -0.6684000    
 C   -2.974700      0.8490000       1.660600    
 C   -4.042600      -1.337400     -0.4639000    
 C    1.307800      -2.780900      7.4100003E-02
 C    3.173500     -0.6466000      2.2299999E-02
 C    1.718800       2.104900     -7.6700002E-02
 C    2.680800      -3.032900      8.9100003E-02
 C    3.604200      -1.976400      6.3500002E-02
 C    1.231100       4.545300     -0.1349000    
 H   -3.384600       1.434000      -1.739200    
 H   -4.635200       1.310200     -0.4890000    
 H   -3.454200       2.621100     -0.4334000    
 H   -3.996800      0.5227000       1.879300    
 H   -2.298600      0.2566000       2.288100    
 H   -2.881300       1.894700       1.976100    
 H   -3.982400      -2.416500     -0.6270000    
 H   -4.465400     -0.8827000      -1.363500    
 H   -4.695500      -1.151900      0.3925000    
 H   0.6140000      -3.611900      9.7499996E-02
 H    3.915700      0.1409000      2.0000001E-03
 H    3.040300      -4.058000      0.1210000    
 H    4.668700      -2.196200      7.5199999E-02
 H  -0.1827000       2.969600     -0.1206000    
 H    1.592500       4.772500      -1.141100    
 H    2.035100       4.709300      0.5874000    
 H   0.3740000       5.178000      0.1060000    


%chk=000159102-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159102

0 1
O -1.696614 -2.827140 -0.301118
O 2.939216 2.266608 -0.052776
N -2.705131 -0.694513 -0.263297
N -0.382490 -0.921831 0.060941
N 1.102152 0.794222 -0.016562
N -1.275230 1.330166 -0.036488
N 0.750024 3.123345 -0.123888
C -2.634048 0.763309 0.173258
C -0.275501 0.484415 0.003024
C 0.918020 -1.503860 0.081487
C -1.630977 -1.572453 -0.164058
C 1.850428 -0.427935 0.040867
C -3.614656 1.609954 -0.663903
C -2.970646 0.850702 1.688579
C -4.026997 -1.285860 -0.546006
C 1.329416 -2.844004 0.131403
C 3.234944 -0.666482 0.060095
C 1.683168 2.121495 -0.064786
C 2.725699 -3.085769 0.149119
C 3.656323 -2.018781 0.116604
C 1.155613 4.529626 -0.181300
H -3.403094 1.496071 -1.740554
H -4.665810 1.342045 -0.465881
H -3.469615 2.669191 -0.394685
H -3.984282 0.461305 1.891567
H -2.243036 0.266282 2.278756
H -2.925835 1.902063 2.020108
H -3.895540 -2.373906 -0.647755
H -4.446566 -0.885435 -1.484789
H -4.737050 -1.089064 0.278507
H 0.593970 -3.650005 0.144137
H 3.938295 0.166212 0.030504
H 3.086920 -4.118835 0.187161
H 4.729243 -2.237664 0.132920
H -0.254083 2.840181 -0.121337
H 0.787159 5.009220 -1.107006
H 2.255869 4.579361 -0.169373
H 0.764242 5.090165 0.687926


