%chk=000049997.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049997

0 1
 O   -1.352000       1.104400      0.4598000    
 O   -3.377200       1.896900     -0.3196000    
 O    3.726100      0.1594000     -0.3161000    
 N   -1.067200       2.304000      -2.705500    
 C   -4.072700      -1.111600      7.7299997E-02
 C   -2.694200      -1.502300      0.5234000    
 C   -3.256500     -0.1762000      0.8987000    
 C   -4.306200     -0.8177000      -1.367900    
 C   -5.254600      -1.733400      0.7444000    
 C   -1.585700      -1.501300     -0.4754000    
 C   -2.548300      -2.564700       1.562500    
 C   -2.700300       1.064900      0.2692000    
 C  -0.6870000       2.246700     -9.6000001E-02
 C   0.7593000       2.219700      0.2663000    
 C  -0.9062000       2.278200      -1.556600    
 C    1.575900       1.189200     -0.1996000    
 C    1.295700       3.225200       1.070600    
 C    2.928800       1.164300      0.1389000    
 C    2.648500       3.200400       1.409000    
 C    3.465100       2.170000      0.9431000    
 C    3.317000      -1.143500     -0.2691000    
 C    2.714300      -1.638500      0.8841000    
 C    3.506100      -1.968200      -1.374600    
 C    2.297500      -2.968800      0.9322000    
 C    3.089200      -3.298400      -1.326400    
 C    2.484800      -3.798700     -0.1729000    
 H   -3.553600     -2.6699999E-02   1.932400    
 H   -4.417800      -1.755100      -1.924900    
 H   -5.236000     -0.2504000      -1.493400    
 H   -3.528000     -0.2370000      -1.867600    
 H   -6.169800      -1.182800      0.4983000    
 H   -5.386400      -2.766100      0.4038000    
 H   -5.187800      -1.743500       1.837000    
 H   -1.564900      -2.467500     -0.9942000    
 H   -1.626300     -0.7401000      -1.256600    
 H  -0.6180000      -1.394800      2.8300000E-02
 H   -2.805000      -3.545300       1.147500    
 H   -1.513500      -2.614800       1.920300    
 H   -3.170500      -2.393200       2.446500    
 H   -1.149500       3.141300      0.3430000    
 H    1.155200      0.4154000     -0.8374000    
 H   0.6737000       4.035100       1.442400    
 H    3.066300       3.983200       2.035400    
 H    4.518200       2.155800       1.210300    
 H    2.572500      -1.015900       1.763300    
 H    3.975900      -1.583200      -2.275300    
 H    1.829100      -3.359000       1.831100    
 H    3.234900      -3.944800      -2.186900    
 H    2.160300      -4.834400     -0.1354000    


%chk=000049997-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049997

0 1
O -0.981650 -0.387843 -1.108058
O -2.644491 1.259692 -1.205051
O 4.115545 0.686905 1.164624
N 1.292326 -0.680671 -3.622591
C -4.244909 -0.718507 0.767414
C -4.639143 -1.206973 -0.635780
C -3.115949 -0.988574 -0.297088
C -4.556355 0.718039 1.191587
C -4.264585 -1.681611 1.958242
C -5.341339 -0.255874 -1.606767
C -5.056794 -2.663367 -0.861156
C -2.307830 0.086950 -0.896859
C -0.029788 0.620901 -1.710650
C 0.854608 1.215850 -0.624089
C 0.703026 -0.104772 -2.761197
C 2.079774 0.608084 -0.262948
C 0.408024 2.383933 0.042432
C 2.845841 1.173185 0.780884
C 1.193851 2.940422 1.075638
C 2.413259 2.339774 1.451681
C 4.463757 -0.683560 1.009242
C 3.566434 -1.734963 1.307650
C 5.801483 -0.943405 0.643490
C 4.024746 -3.068313 1.219165
C 6.246213 -2.281530 0.565132
C 5.360716 -3.348099 0.847603
H -2.539847 -1.905609 -0.140618
H -5.609803 0.789335 1.523166
H -3.914746 1.008373 2.044615
H -4.391692 1.451541 0.388500
H -3.565450 -1.331234 2.740017
H -5.277211 -1.718307 2.403943
H -3.976528 -2.711515 1.690529
H -6.422581 -0.215695 -1.374336
H -4.938287 0.767328 -1.578204
H -5.234269 -0.626459 -2.643338
H -6.138623 -2.785911 -0.661060
H -4.874299 -2.951032 -1.913060
H -4.512063 -3.377594 -0.221794
H -0.652542 1.414982 -2.168162
H 2.437444 -0.278964 -0.796021
H -0.545088 2.841615 -0.243306
H 0.857118 3.846242 1.590361
H 3.040349 2.756293 2.245367
H 2.537230 -1.518586 1.610937
H 6.467492 -0.102342 0.429388
H 3.335167 -3.888271 1.447891
H 7.283055 -2.489095 0.279177
H 5.707606 -4.384570 0.781157


