%chk=000103667.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103667

0 1
 O    1.805800      -1.562900      -2.212200    
 O   -3.257100      -2.088700     -0.4469000    
 O   -3.772000       2.328200     -0.2106000    
 O   -2.465400      -1.904700       1.706700    
 O   -3.902200      0.6596000       1.369700    
 N    5.461500       2.092600      0.8219000    
 C    1.856900     -0.2826000      -1.558500    
 C   0.5152000      0.1021000      -1.033200    
 C    2.959000     -0.2564000     -0.5038000    
 C  -0.3351000     -0.8721000     -0.5099000    
 C   0.1105000       1.436700      -1.065400    
 C   -1.589900     -0.5115000     -1.8800000E-02
 C   -1.994400      0.8231000     -5.0999999E-02
 C    3.689800      0.8997000     -0.3366000    
 C   -1.144200       1.797200     -0.5742000    
 C    3.185500      -1.390200      0.2459000    
 C    4.696900      0.9233000      0.6283000    
 C    4.192500      -1.366600       1.210600    
 C    4.948100     -0.2099000       1.402000    
 C   -2.455500      -1.551800      0.5217000    
 C   -3.298800       1.231400      0.4544000    
 C   -4.157200      -3.124200     -3.7700001E-02
 C   -5.050100       2.827700      0.1976000    
 H    2.138500      0.4110000      -2.362200    
 H  -2.7500000E-02  -1.914600     -0.4724000    
 H   0.7638000       2.206600      -1.467200    
 H    3.490900       1.780800     -0.9407000    
 H   -1.421800       2.847700     -0.6008000    
 H    2.602600      -2.296500      0.1151000    
 H    4.387100      -2.248400       1.814200    
 H    1.044200      -1.560600      -2.817300    
 H    5.729700     -0.2041000       2.157400    
 H    5.279600       2.914900      0.2619000    
 H    6.191400       2.110100       1.521700    
 H   -3.596500      -3.977000      0.3563000    
 H   -4.723500      -3.449100     -0.9143000    
 H   -4.856100      -2.741100      0.7117000    
 H   -5.289900       3.696200     -0.4215000    
 H   -5.015400       3.140100       1.245500    
 H   -5.818900       2.064000      4.7100000E-02


%chk=000103667-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103667

0 1
O 1.911745 -1.522221 -2.596475
O -3.291987 -1.691541 0.391031
O -3.939086 2.243853 -0.698181
O -1.550106 -1.799296 1.940688
O -3.747016 0.992493 1.255898
N 4.185311 1.450016 2.272049
C 1.992258 -0.221652 -1.891731
C 0.613117 0.176730 -1.372122
C 3.063649 -0.359471 -0.806067
C -0.075149 -0.659831 -0.458967
C -0.018822 1.356063 -1.830568
C -1.371963 -0.333367 -0.011734
C -1.990209 0.876491 -0.449924
C 3.116799 0.583400 0.244862
C -1.303631 1.707988 -1.367835
C 4.036551 -1.384056 -0.892165
C 4.140260 0.517293 1.231881
C 5.053198 -1.450162 0.087734
C 5.117620 -0.515398 1.139096
C -2.053337 -1.312287 0.903224
C -3.286997 1.330491 0.138937
C -4.103466 -2.565351 1.270346
C -5.212990 2.785157 -0.169603
H 2.322728 0.558978 -2.614397
H 0.404236 -1.577603 -0.103807
H 0.500198 2.008633 -2.543326
H 2.353788 1.369448 0.315280
H -1.784045 2.632257 -1.698969
H 3.977718 -2.114158 -1.701798
H 5.807122 -2.244027 0.031439
H 1.203461 -1.460586 -3.286726
H 5.912260 -0.581928 1.892720
H 3.455234 2.147961 2.377156
H 4.887527 1.377041 3.001923
H -3.516712 -3.442345 1.590865
H -4.965028 -2.862157 0.656212
H -4.424662 -1.990155 2.154953
H -5.570443 3.472216 -0.949163
H -5.039219 3.314937 0.782281
H -5.931912 1.966146 -0.000518


