%chk=000019778.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019778

0 1
 O   -1.521600      -1.674100     -0.2890000    
 O   0.6103000      0.3975000      -1.853700    
 O    6.674400     -0.6679000      0.1809000    
 N    1.209800      0.2495000      0.4099000    
 C   -4.236800      -1.284300      0.4442000    
 C   -3.279500     -0.1536000      0.2564000    
 C   -1.953000     -0.3925000     -0.1030000    
 C   -1.073100      0.6765000     -0.2728000    
 C   -1.519800       1.984300     -8.3200000E-02
 C   -3.726200       1.154100      0.4460000    
 C   -5.411100      -1.230400     -0.5501000    
 C   -4.773600      -1.365900       1.885100    
 C   -2.846400       2.223000      0.2762000    
 C   0.3130000      0.4225000     -0.6508000    
 C  -0.6014000       3.149900     -0.2581000    
 C    2.605700      1.5699999E-02  0.3510000    
 C   -1.639200      -2.210300      -1.604000    
 C    3.226800     -6.3299999E-02 -0.8834000    
 C    3.316600     -0.1299000       1.529900    
 C    4.601000     -0.2949000     -0.9410000    
 C    4.690900     -0.3616000       1.472500    
 C    5.333200     -0.4440000      0.2370000    
 H   -3.736400      -2.243000      0.2668000    
 H   -4.754300       1.365400      0.7262000    
 H   -6.048600     -0.3551000     -0.3857000    
 H   -6.039700      -2.122000     -0.4497000    
 H   -5.047400      -1.191000      -1.582800    
 H   -3.949300      -1.428600       2.604200    
 H   -5.398600      -2.256700       2.012100    
 H   -5.382200     -0.4938000       2.147100    
 H   -3.211100       3.235400      0.4282000    
 H   0.2147000       3.108600      0.4707000    
 H  -0.1842000       3.163800      -1.270300    
 H   -1.120900       4.103100     -0.1109000    
 H   0.8221000      0.2997000       1.350100    
 H  -0.8625000      -1.799600      -2.254600    
 H   -2.625500      -2.010300      -2.034500    
 H   -1.501000      -3.293500      -1.543500    
 H    2.731700      4.1000001E-02  -1.837100    
 H    2.825900     -6.7599997E-02   2.497100    
 H    5.090900     -0.3569000      -1.909200    
 H    5.255900     -0.4766000       2.393500    
 H    6.950800     -0.6946000     -0.7512000    


%chk=000019778-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019778

0 1
O -1.212225 -1.338983 0.213644
O 0.949141 1.821540 -1.400206
O 6.580136 -1.317865 0.260616
N 1.083382 0.037354 0.111859
C -4.057207 -1.275692 0.728265
C -3.269590 -0.032336 0.308441
C -1.877577 -0.076238 0.047892
C -1.108025 1.075198 -0.314276
C -1.779279 2.336701 -0.424852
C -3.902566 1.227603 0.185328
C -5.157150 -1.630690 -0.308329
C -4.672507 -1.094354 2.142175
C -3.173519 2.376722 -0.170729
C 0.383824 1.010391 -0.595352
C -1.075141 3.635646 -0.776768
C 2.477287 -0.239141 0.090202
C -1.127528 -2.139486 -1.029664
C 3.422059 0.507399 -0.664684
C 2.935535 -1.327798 0.886213
C 4.788960 0.161603 -0.617615
C 4.297600 -1.670674 0.930463
C 5.230358 -0.923544 0.174731
H -3.345611 -2.119110 0.784545
H -4.978416 1.311079 0.379061
H -5.910818 -0.824714 -0.383869
H -5.683657 -2.556786 -0.011490
H -4.730119 -1.783992 -1.316625
H -3.891869 -0.867223 2.889845
H -5.194625 -2.017374 2.455751
H -5.408754 -0.269051 2.157256
H -3.690338 3.339990 -0.248449
H -0.166243 3.791504 -0.170435
H -0.733412 3.632989 -1.825377
H -1.757892 4.488972 -0.619736
H 0.485244 -0.629711 0.623479
H -0.542891 -1.602347 -1.799904
H -2.141115 -2.356484 -1.414340
H -0.618861 -3.075387 -0.752108
H 3.073879 1.340274 -1.277123
H 2.217184 -1.905593 1.481154
H 5.508685 0.745898 -1.206281
H 4.653762 -2.504847 1.541637
H 7.150202 -0.733440 -0.297847


