%chk=000060443.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060443

0 1
 O    3.237000       1.503200     -0.1808000    
 O   -4.088500       1.226900     -0.2609000    
 O    7.874400      -1.370300      0.6055000    
 N   -8.564700      -1.961300      0.5900000    
 C  -0.4044000      0.6765000     -0.7546000    
 C   0.8273000       1.412400     -0.2192000    
 C   -1.696200       1.329900     -0.2669000    
 C    2.128600      0.7976000     -0.7198000    
 C   -2.925800      0.5799000     -0.7592000    
 C    4.390400      0.7884000      1.5100000E-02
 C   -5.191900      0.4410000     -5.0999999E-02
 C    4.681400     -0.2883000     -0.8147000    
 C    5.256700       1.147900       1.040800    
 C   -5.395200     -0.6842000     -0.8415000    
 C   -6.095600      0.7779000      0.9497000    
 C    5.855000      -1.015500     -0.6157000    
 C    6.430300      0.4209000       1.239800    
 C   -6.518100      -1.483700     -0.6281000    
 C   -7.218500     -2.1600001E-02   1.163300    
 C    6.729400     -0.6609000      0.4115000    
 C   -7.429700      -1.152400      0.3743000    
 C    8.118300      -2.464200     -0.2776000    
 H  -0.3733000     -0.3703000     -0.4288000    
 H  -0.3846000      0.6756000      -1.851100    
 H   0.8225000       1.406200      0.8781000    
 H   0.7932000       2.469300     -0.5121000    
 H   -1.745600       2.372800     -0.6041000    
 H   -1.710700       1.368400      0.8297000    
 H    2.132100     -0.2562000     -0.4113000    
 H    2.168500      0.8526000      -1.814000    
 H   -2.852400     -0.4549000     -0.3995000    
 H   -2.953900      0.5836000      -1.855000    
 H    4.042100     -0.5778000      -1.643100    
 H    5.027200       1.989600       1.688100    
 H   -4.725700     -0.9608000      -1.650000    
 H   -5.934500       1.657600       1.566300    
 H    6.029200      -1.839700      -1.299100    
 H    7.107600      0.7018000       2.041600    
 H   -6.675200      -2.359000      -1.253300    
 H   -7.921500      0.2471000       1.947600    
 H   -8.718500      -2.780900      1.7800000E-02
 H   -9.226500      -1.721600       1.316200    
 H    8.236400      -2.126700      -1.312900    
 H    9.070000      -2.915300      2.1800000E-02
 H    7.351600      -3.240100     -0.1787000    


%chk=000060443-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060443

0 1
O 3.242034 0.924340 0.543964
O -4.144203 0.784390 0.483559
O 8.622830 -0.446872 -0.436452
N -9.428997 -0.923499 -0.647045
C -0.432956 0.027737 0.075368
C 0.831502 0.803790 0.508832
C -1.732623 0.754850 0.488298
C 2.118659 0.095605 0.079637
C -2.986127 -0.005705 0.047223
C 4.545090 0.483076 0.244127
C -5.427279 0.285101 0.163175
C 4.855659 -0.700205 -0.463481
C 5.593052 1.321934 0.706410
C -5.677801 -0.919655 -0.535955
C -6.518616 1.079561 0.590191
C 6.208236 -1.045339 -0.711344
C 6.931358 0.980772 0.462203
C -7.006754 -1.318998 -0.804122
C -7.839812 0.681021 0.323272
C 7.247361 -0.206428 -0.249659
C -8.110109 -0.529405 -0.381870
C 8.995127 -1.657670 -1.166147
H -0.417238 -0.988265 0.522828
H -0.422020 -0.112887 -1.026078
H 0.841260 0.928969 1.608320
H 0.820527 1.819599 0.069769
H -1.756822 1.767824 0.043196
H -1.761783 0.885975 1.586839
H 2.186898 -0.916445 0.533585
H 2.162223 -0.010660 -1.025747
H -3.021137 -1.015828 0.510320
H -3.005534 -0.126946 -1.057813
H 4.066916 -1.364406 -0.829075
H 5.333646 2.233682 1.252926
H -4.856634 -1.557263 -0.877596
H -6.310669 2.008639 1.130483
H 6.426031 -1.965304 -1.262238
H 7.749964 1.616889 0.812026
H -7.185692 -2.255241 -1.347429
H -8.672270 1.310099 0.662146
H -9.624782 -1.782956 -1.149994
H -10.212247 -0.354619 -0.342232
H 8.592180 -1.648516 -2.198633
H 10.094708 -1.649526 -1.198752
H 8.645041 -2.569814 -0.642837


