%chk=000071937.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071937

1 1
 O  -0.3434000       1.616000      5.9000002E-03
 O   0.3634000      -2.315800     -0.7766000    
 O   -2.141900      -2.861800     -0.5238000    
 O   -2.844900       2.576800      0.5024000    
 O   -5.023400      0.6525000      0.4625000    
 N    3.769100      0.3404000     -0.2526000    
 C    3.968500      0.3155000       1.275900    
 C    5.100900      1.7800000E-02 -0.9523000    
 C    2.651200     -0.6228000     -0.7221000    
 C    3.340600       1.767000     -0.6892000    
 C    4.581100     -0.9949000       1.757600    
 C    5.672100      -1.312700     -0.4832000    
 C    5.870100      -1.334600       1.024800    
 C    1.249200     -0.1323000     -0.4857000    
 C    1.974900       2.183700     -0.1959000    
 C   0.9400000       1.152100     -0.2288000    
 C   0.1545000      -1.134900     -0.5303000    
 C   -1.205200     -0.6371000     -0.2645000    
 C    1.767700       3.433100      0.2518000    
 C   -1.385200      0.7219000     -7.7999998E-03
 C   -2.292300      -1.527400     -0.2733000    
 C   -2.655100       1.249700      0.2506000    
 C   -3.577200      -1.015700     -1.5200000E-02
 C   -3.715100      0.3450000      0.2363000    
 C   -4.887200      -1.557700      6.5899998E-02
 C   -5.724800     -0.5060000      0.3568000    
 C   -1.907100      -3.705900      0.5995000    
 C   -3.700800       3.287900     -0.3886000    
 H    2.998600      0.4825000       1.754600    
 H    4.630900       1.153900       1.522800    
 H    5.792900      0.8359000     -0.7188000    
 H    4.919600      1.1100000E-02  -2.032900    
 H    2.819800      -1.581900     -0.2267000    
 H    2.792700     -0.7683000      -1.800300    
 H    3.345400       1.768900      -1.787300    
 H    4.127400       2.450200     -0.3461000    
 H    3.865400      -1.816800       1.647400    
 H    4.788100     -0.9178000       2.831600    
 H    6.636200      -1.483700     -0.9761000    
 H    5.019200      -2.139200     -0.7860000    
 H    6.647900     -0.6120000       1.301400    
 H    6.227300      -2.321600       1.339200    
 H    2.570600       4.163700      0.2599000    
 H   0.8048000       3.767600      0.6234000    
 H   -5.184600      -2.587700     -7.1000002E-02
 H   -6.790300     -0.4217000      0.5124000    
 H   -2.835400      -3.844000       1.162300    
 H   -1.134400      -3.296400       1.258400    
 H   -1.573800      -4.680600      0.2328000    
 H   -3.572200       2.952100      -1.423300    
 H   -3.438600       4.348500     -0.3360000    
 H   -4.744200       3.178300     -8.0200002E-02


%chk=000071937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071937

1 1
O -0.250747 1.625986 -0.138184
O 0.629613 -2.428157 -0.542830
O -2.253171 -2.964523 -0.387445
O -2.601817 2.711579 0.137789
O -5.043648 0.758467 0.117358
N 3.774563 0.346281 -0.333924
C 3.814662 0.355294 1.213775
C 5.172085 -0.049076 -0.868254
C 2.709262 -0.621034 -0.880350
C 3.432186 1.758134 -0.862612
C 4.296797 -0.981080 1.799542
C 5.655763 -1.396040 -0.310535
C 5.674936 -1.393071 1.234914
C 1.308582 -0.153501 -0.579962
C 2.054742 2.229078 -0.426432
C 1.022166 1.183572 -0.406972
C 0.275580 -1.199761 -0.452763
C -1.108499 -0.722937 -0.231857
C 1.798356 3.532420 -0.130386
C -1.324826 0.702152 -0.115363
C -2.255507 -1.585046 -0.203973
C -2.592505 1.331928 0.023158
C -3.530528 -0.979896 -0.098267
C -3.678965 0.432005 0.013980
C -4.870511 -1.539248 -0.069302
C -5.740924 -0.483232 0.058001
C -1.668508 -3.836995 0.662109
C -3.902440 3.416180 0.249826
H 2.804836 0.616840 1.565086
H 4.505604 1.174647 1.484265
H 5.854500 0.764790 -0.561889
H 5.102612 -0.057095 -1.969984
H 2.850670 -1.626154 -0.454659
H 2.892310 -0.699905 -1.968900
H 3.491715 1.683876 -1.965050
H 4.218878 2.447598 -0.514493
H 3.548974 -1.776450 1.623683
H 4.351890 -0.851187 2.895935
H 6.672183 -1.568054 -0.709150
H 5.031758 -2.224882 -0.692493
H 6.451159 -0.688947 1.595324
H 5.953942 -2.392427 1.610048
H 2.586150 4.293024 -0.135161
H 0.780391 3.856198 0.106976
H -5.125634 -2.592571 -0.148124
H -6.822235 -0.397247 0.117836
H -2.112269 -3.591489 1.645098
H -0.572448 -3.732807 0.672520
H -1.954156 -4.855656 0.361903
H -4.522889 3.234592 -0.643111
H -3.628516 4.478131 0.319018
H -4.443122 3.096499 1.155877


