%chk=000048968.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048968

0 1
 O   -3.355400      0.4447000      9.4099998E-02
 O   -4.945400       1.881600      0.9348000    
 N    1.409200       1.235400     -0.3214000    
 C    4.295900      0.7422000     -0.1841000    
 C    3.674700       1.715400      -1.191700    
 C    3.261100     -0.3124000      0.2225000    
 C    2.362200       2.299300     -0.6647000    
 C    1.962000      0.3384000      0.7022000    
 C    5.550800      8.7899998E-02 -0.7553000    
 C    6.445200     -0.4585000      0.3544000    
 C   0.1423000       1.809400      0.1314000    
 C    7.685500      -1.141800     -0.2234000    
 C  -0.9980000      0.8225000     -9.7199999E-02
 C    8.601400      -1.661100      0.8846000    
 C   -2.335200       1.401300      0.3450000    
 C    9.851800      -2.311500      0.3145000    
 C   -4.620500      0.8144000      0.4376000    
 C   -5.588400     -0.2679000      0.1276000    
 C   -6.944100     -9.1600001E-02  0.4048000    
 C   -5.142300      -1.460900     -0.4411000    
 C   -7.853500      -1.108300      0.1135000    
 C   -6.051900      -2.477500     -0.7326000    
 C   -7.407500      -2.301100     -0.4552000    
 H    4.568700       1.324200      0.7072000    
 H    4.373800       2.533400      -1.403800    
 H    3.488800       1.200700      -2.143700    
 H    3.041400     -0.9729000     -0.6267000    
 H    3.652000     -0.9470000       1.025300    
 H    2.563700       2.938800      0.2048000    
 H    1.941600       2.939200      -1.450200    
 H    1.259100     -0.4685000      0.9353000    
 H    2.151900      0.8815000       1.637700    
 H    6.126400      0.8297000      -1.323600    
 H    5.284700     -0.7091000      -1.460500    
 H    6.752900      0.3599000       1.016800    
 H    5.896700      -1.181500      0.9681000    
 H  -9.2100002E-02   2.709000     -0.4534000    
 H   0.1899000       2.126900       1.181000    
 H    8.237200     -0.4308000     -0.8507000    
 H    7.381000      -1.974100     -0.8696000    
 H   -1.058300      0.5472000      -1.158500    
 H  -0.8352000     -0.1167000      0.4441000    
 H    8.063600      -2.391300       1.500500    
 H    8.895700     -0.8354000       1.542800    
 H   -2.551200       2.318800     -0.2151000    
 H   -2.307500       1.633000       1.416300    
 H    10.43020      -1.596500     -0.2794000    
 H    9.594700      -3.161500     -0.3255000    
 H    10.49170      -2.676800       1.123900    
 H   -7.312000      0.8301000      0.8476000    
 H   -4.096500      -1.640700     -0.6736000    
 H   -8.909200     -0.9712000      0.3293000    
 H   -5.705200      -3.406700      -1.175500    
 H   -8.115600      -3.092700     -0.6822000    


%chk=000048968-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048968

0 1
O -3.396548 0.405221 0.023846
O -5.053557 1.920723 0.648109
N 1.440859 1.379246 -0.309049
C 4.368223 0.890237 -0.107506
C 3.740075 1.849640 -1.148778
C 3.310128 -0.165536 0.300199
C 2.412137 2.450481 -0.650444
C 1.989660 0.492979 0.748041
C 5.673002 0.258603 -0.652656
C 6.460914 -0.597792 0.365286
C 0.104672 1.925116 0.030573
C 7.803173 -1.115389 -0.199318
C -1.018201 0.870285 -0.089108
C 8.598830 -1.982304 0.803252
C -2.388266 1.491732 0.183758
C 9.934668 -2.498276 0.225912
C -4.723145 0.762972 0.285938
C -5.664382 -0.376898 0.082607
C -7.043705 -0.153731 0.331902
C -5.220508 -1.653578 -0.350655
C -7.971910 -1.199078 0.149992
C -6.153474 -2.696373 -0.531900
C -7.528610 -2.472176 -0.282419
H 4.623678 1.486012 0.798217
H 4.446928 2.669148 -1.387355
H 3.546864 1.291220 -2.086376
H 3.104543 -0.825310 -0.566594
H 3.688185 -0.801792 1.123201
H 2.617552 3.111562 0.234820
H 1.965496 3.085850 -1.438453
H 1.246781 -0.290944 0.980023
H 2.168299 1.071323 1.695475
H 6.334384 1.073770 -1.016400
H 5.428578 -0.361202 -1.541525
H 6.654602 0.003633 1.278673
H 5.848587 -1.464782 0.685957
H -0.108215 2.748721 -0.679468
H 0.090058 2.376505 1.058533
H 8.427829 -0.252261 -0.512092
H 7.609968 -1.706611 -1.119208
H -0.994088 0.441722 -1.106983
H -0.857077 0.039779 0.622449
H 7.973076 -2.843083 1.116663
H 8.794483 -1.390801 1.721112
H -2.632897 2.300946 -0.530002
H -2.472240 1.902428 1.207430
H 10.591606 -1.657188 -0.066295
H 9.763375 -3.117120 -0.675265
H 10.483377 -3.116036 0.960585
H -7.361391 0.840206 0.664152
H -4.155391 -1.811869 -0.540775
H -9.035978 -1.025070 0.342939
H -5.811703 -3.681619 -0.867300
H -8.250501 -3.284339 -0.424723


