%chk=000049014.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049014

0 1
 I   4.4000000E-03  -2.541600       1.200800    
 I    3.045900       2.622100      3.3799998E-02
 I   -3.062500       2.607400      3.5200000E-02
 O   -2.890300      -1.219100      -1.445100    
 O    2.881700      -1.246500      -1.437100    
 O  -1.0300000E-02   3.906400      -1.548400    
 O  -1.3300000E-02   4.596800      0.6172000    
 N   -2.422900     -0.4730000      0.7315000    
 N    2.421600     -0.4613000      0.7304000    
 C   -1.199200      0.2204000      0.5746000    
 C    1.205600      0.2200000      0.5757000    
 C  -6.9999998E-04 -0.4632000      0.7298000    
 C   -4.416700      -1.748200      0.3450000    
 C    4.432500      -1.732900      0.3440000    
 C  -7.4999998E-03   2.257800      0.1144000    
 C    1.202200       1.580500      0.2680000    
 C   -1.213700       1.574600      0.2683000    
 C   -5.281300      -2.492800     -0.6697000    
 C    5.300200      -2.473200     -0.6713000    
 C   -3.156500      -1.132400     -0.2509000    
 C    3.169000      -1.123100     -0.2512000    
 C   -6.530200      -3.095700     -4.1800000E-02
 C    6.553100      -3.068700     -4.4399999E-02
 C  -1.1000000E-02   3.685500     -0.2088000    
 H   -5.001300     -0.9428000      0.8062000    
 H   -4.112500      -2.437600       1.142300    
 H    5.014100     -0.9241000      0.8032000    
 H    4.131000      -2.421300       1.143000    
 H   -4.694000      -3.291300      -1.139000    
 H   -5.578500      -1.808500      -1.473500    
 H    5.592200      -1.787800      -1.476000    
 H    4.717100      -3.275500      -1.139200    
 H   -2.700900     -0.6146000       1.700300    
 H    2.859500     -0.3347000       1.640400    
 H   -6.266100      -3.814000      0.7407000    
 H   -7.121200      -3.619000     -0.7998000    
 H   -7.158200      -2.317400      0.4032000    
 H    7.177400      -2.286600      0.3991000    
 H    7.146100      -3.589300     -0.8027000    
 H    6.293900      -3.787800      0.7390000    
 H  -1.2200000E-02   4.864000      -1.761400    


%chk=000049014-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049014

0 1
I 0.026434 -2.372271 1.738043
I 3.086319 2.619739 -0.183025
I -3.045186 2.715370 0.193852
O -3.173966 -0.405263 -1.302994
O 2.306067 -1.944363 -0.842001
O -0.143562 3.922931 -1.692653
O 0.135037 4.720774 0.475631
N -2.436360 -0.441384 0.916218
N 2.516992 -0.388042 0.889928
C -1.217039 0.258066 0.700089
C 1.270097 0.268063 0.688690
C 0.032376 -0.385838 0.931299
C -4.572692 -1.552725 0.364730
C 4.373348 -1.967503 0.494692
C 0.009889 2.305120 0.062175
C 1.231807 1.618225 0.241858
C -1.208100 1.623445 0.301906
C -5.015639 -2.619962 -0.663074
C 5.218061 -2.393888 -0.728456
C -3.350166 -0.765087 -0.110083
C 2.989397 -1.452757 0.093568
C -6.351828 -3.284213 -0.273235
C 6.530828 -3.089559 -0.315068
C 0.008124 3.766169 -0.318506
H -5.396722 -0.822530 0.505367
H -4.391197 -2.018703 1.353908
H 4.919809 -1.216016 1.099220
H 4.216320 -2.849062 1.150493
H -4.223774 -3.388220 -0.757319
H -5.098259 -2.133999 -1.651892
H 5.439865 -1.503232 -1.347781
H 4.604357 -3.065113 -1.355792
H -2.553548 -0.914398 1.816223
H 3.187492 0.057827 1.521470
H -6.284685 -3.784337 0.711687
H -6.645660 -4.046374 -1.017253
H -7.166335 -2.537248 -0.217072
H 7.165265 -2.426453 0.303356
H 7.118746 -3.383565 -1.203125
H 6.327774 -4.005253 0.272222
H -0.153188 4.893130 -1.921494


