%chk=000161355.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161355

0 1
 O    1.106500     -0.5620000     -0.3333000    
 O  -2.6300000E-02   1.428000      0.1146000    
 O    4.358400      0.6426000       1.867100    
 O    4.618500      -1.547100     -2.0000001E-03
 O    2.423600       2.627300      0.8681000    
 O    1.064000      -2.803400      -1.923900    
 O   -5.149000      -1.882800       1.495300    
 N   -1.900100       3.350900      -1.957200    
 C    3.568700      0.5113000      0.6840000    
 C    3.376600     -0.9799000      0.4069000    
 C    2.226400       1.213800      0.8875000    
 C    2.334300      -1.198000     -0.6925000    
 C    1.236500      0.8533000     -0.2203000    
 C    2.039700      -2.679500     -0.9053000    
 C   -1.005500       1.130000     -0.8682000    
 C   -2.115600      0.3237000     -0.2353000    
 C   -2.340200     -0.9736000     -0.6652000    
 C   -2.886000      0.8970000      0.7628000    
 C   -1.506900       2.370900      -1.475500    
 C   -3.364300      -1.718700     -8.0600001E-02
 C   -3.910100      0.1520000       1.347400    
 C   -4.149300      -1.155800      0.9256000    
 H    4.137000      0.9910000     -0.1223000    
 H    3.073500      -1.486200       1.331500    
 H    1.812500      0.9649000       1.871900    
 H    2.676100     -0.7794000      -1.648900    
 H    1.562800       1.279300      -1.179500    
 H    1.635800      -3.141900      1.5000000E-03
 H    2.932700      -3.230100      -1.214500    
 H    5.196900      0.1752000       1.710700    
 H    4.891900      -1.109000     -0.8260000    
 H    2.792200       2.868700      1.2000001E-03
 H  -0.5755000      0.5490000      -1.696900    
 H   0.2820000      -2.300000      -1.642500    
 H   -1.744100      -1.421200      -1.453700    
 H   -2.707700       1.911800       1.106900    
 H   -3.541800      -2.735800     -0.4196000    
 H   -4.517300      0.5954000       2.132000    
 H   -5.172200      -2.763600       1.083300    


%chk=000161355-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161355

0 1
O 1.581879 -0.960871 -0.646694
O -0.163709 0.275507 0.323536
O 4.294948 0.860986 1.957777
O 5.346936 -0.747012 -0.273887
O 1.746172 2.100364 1.486858
O 2.340469 -2.613797 -2.887997
O -6.260244 -0.411126 1.838068
N -1.035736 2.032568 -2.564994
C 3.550950 0.622518 0.718960
C 3.914316 -0.733014 0.091369
C 2.062135 0.730421 1.097072
C 2.990367 -1.024176 -1.110597
C 1.192918 0.376832 -0.118588
C 3.164299 -2.429027 -1.693928
C -1.166100 0.050909 -0.767358
C -2.525628 -0.077811 -0.112153
C -3.112824 -1.354259 0.041840
C -3.200214 1.062329 0.396025
C -1.103729 1.156746 -1.757762
C -4.359103 -1.500428 0.685917
C -4.440920 0.931686 1.042320
C -5.020459 -0.352211 1.186236
H 3.778848 1.427102 -0.021422
H 3.826083 -1.535450 0.844316
H 1.845911 0.011039 1.913757
H 3.146322 -0.265026 -1.913156
H 1.315618 1.133642 -0.927795
H 2.917951 -3.175953 -0.909904
H 4.206178 -2.578563 -2.017984
H 5.250565 0.655530 1.786663
H 5.493839 -0.120287 -1.030623
H 2.367691 2.348001 2.219635
H -0.898329 -0.886566 -1.292573
H 1.402464 -2.415209 -2.634841
H -2.595409 -2.243565 -0.336485
H -2.748073 2.054239 0.287897
H -4.807443 -2.495638 0.798339
H -4.973972 1.799735 1.439854
H -6.590269 -1.342066 1.897399


