%chk=000155996.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155996

0 1
 O    3.401400       2.054300       2.864100    
 O    1.893900       1.897100      -3.280400    
 O   -2.096800     -0.8963000       3.348700    
 O   -3.289100      -2.893700      -2.500700    
 O    3.825000      0.3045000       1.478100    
 O    3.372200      0.4600000      -2.325600    
 O   -3.480800      0.1971000       1.916400    
 O   -3.679500     -0.7749000      -1.778900    
 N    1.616800      0.9438000     -2.8899999E-02
 N   -1.614800      -1.015400      1.5200000E-02
 C   0.2441000      0.6099000     -0.4074000    
 C  -0.2423000     -0.6405000      0.3921000    
 C  -0.6656000       1.821100     -0.2464000    
 C   0.6775000      -1.845400      0.2366000    
 C    1.670400       1.379500       1.366200    
 C    2.151800       1.981600     -0.9094000    
 C   -2.261900      -1.722000       1.115800    
 C   -1.597500      -1.837300      -1.190200    
 C  -0.7811000       2.749000      -1.281600    
 C   0.7935000      -2.772500       1.272300    
 C   -1.383400       2.002200      0.9358000    
 C    1.403000      -2.021700     -0.9416000    
 C    3.070500       1.181900       1.878300    
 C    2.537900       1.349800      -2.218200    
 C   -2.696500     -0.7152000       2.144700    
 C   -2.946400      -1.753200      -1.849400    
 C   -1.614300       3.858100      -1.134400    
 C    1.635200      -3.875500       1.130100    
 C   -2.216600       3.111300       1.082800    
 C    2.244600      -3.124900      -1.083900    
 C   -2.332000       4.039100      4.7699999E-02
 C    2.360700      -4.051800     -4.8000000E-02
 H   0.2080000      0.3608000      -1.474900    
 H  -0.2388000     -0.4112000       1.458100    
 H    1.408400       2.440100       1.472200    
 H    1.067300      0.8121000       2.075500    
 H    3.114300       2.340100     -0.5147000    
 H    1.587200       2.904600      -1.031000    
 H   -1.708600      -2.543600       1.569100    
 H   -3.201900      -2.183100      0.7817000    
 H   -1.372600      -2.892500     -0.9897000    
 H  -0.9302000      -1.457700      -1.970200    
 H  -0.2804000       2.607900      -2.232500    
 H   0.2824000      -2.633800       2.220200    
 H   -1.251500       1.369600       1.801700    
 H    1.338800      -1.347900      -1.787000    
 H   -1.713200       4.574500      -1.944500    
 H    1.735100      -4.590900       1.941100    
 H   -2.758100       3.265100       2.011800    
 H    2.807100      -3.264700      -2.002500    
 H   -2.978800       4.903800      0.1633000    
 H    3.017500      -4.909700     -0.1580000    
 H    4.310400       1.900000       3.199000    
 H    2.168900       1.484800      -4.126900    
 H   -2.374200     -0.2181000       4.000800    
 H   -4.178900      -2.828600      -2.908700    


%chk=000155996-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155996

0 1
O 3.347060 1.451924 3.136747
O 3.137719 2.264045 -3.252097
O -3.137471 -2.273019 3.308084
O -3.347414 -1.467979 -3.078764
O 4.312497 1.295708 1.033056
O 1.948339 0.301679 -2.948189
O -1.946105 -0.311931 3.003987
O -4.310203 -1.300184 -0.974651
N 1.607068 1.041227 -0.092883
N -1.604049 -1.053145 0.149269
C 0.197834 0.610128 -0.408304
C -0.194953 -0.621972 0.464166
C -0.803427 1.773021 -0.343959
C 0.806290 -1.784995 0.398730
C 1.831398 1.500466 1.288250
C 2.213505 1.953476 -1.079637
C -2.210608 -1.964745 1.136257
C -1.829768 -1.510974 -1.231814
C -1.085040 2.494315 -1.533674
C 1.088699 -2.506676 1.588039
C -1.395658 2.214575 0.868618
C 1.397520 -2.226334 -0.814382
C 3.285475 1.390411 1.736887
C 2.386370 1.373499 -2.473768
C -2.384827 -1.383561 2.529824
C -3.284193 -1.400018 -1.679167
C -1.921023 3.634195 -1.519368
C 1.924368 -3.646767 1.572778
C -2.229698 3.352844 0.886582
C 2.231278 -3.364811 -0.833301
C -2.492024 4.072301 -0.303571
C 2.494323 -4.084711 0.356419
H 0.261086 0.282060 -1.459521
H -0.257528 -0.294455 1.515590
H 1.514400 2.558358 1.468716
H 1.239849 0.891895 1.988464
H 3.228635 2.212954 -0.732204
H 1.655178 2.914629 -1.199957
H -1.651764 -2.925467 1.258017
H -3.225342 -2.225313 0.788595
H -1.513068 -2.568666 -1.413941
H -1.238744 -0.901850 -1.932101
H -0.662127 2.147764 -2.486755
H 0.666718 -2.160221 2.541562
H -1.253381 1.645538 1.793346
H 1.254770 -1.657082 -1.738912
H -2.129060 4.172065 -2.451413
H 2.132968 -4.184927 2.504532
H -2.688412 3.671382 1.829620
H 2.689222 -3.683114 -1.776793
H -3.143335 4.953439 -0.284496
H 3.145357 -4.966034 0.336576
H 4.299541 1.420311 3.425412
H 3.245745 1.888403 -4.167737
H -3.245752 -1.896897 4.223493
H -4.300138 -1.435165 -3.366459


