%chk=000056544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056544

0 1
 O  -0.6200000      -1.565500     -0.1132000    
 O   -3.559700      0.2648000      -1.036900    
 O   -2.150200      -1.830100      -1.813800    
 N    3.709900      0.7058000      6.8300001E-02
 C   -2.457900     -4.5000002E-02 -0.1732000    
 C   -3.046200     -0.4116000       1.231500    
 C    2.835900      -1.305200      -1.058700    
 C    2.278900      -1.742000      0.2724000    
 C    4.011900     -0.3252000     -0.9303000    
 C    1.347400      -2.914900      0.2645000    
 C    3.527500      0.1031000       1.399200    
 C   -1.492600       1.147800     -0.1907000    
 C    2.619000      -1.095000       1.399600    
 C   -1.747700      -1.245300     -0.8150000    
 C   0.1262000      -2.679000     -0.6142000    
 C   -3.808600      0.7524000       1.890200    
 C   -3.996900      -1.618300       1.164300    
 C    4.755000       1.726800      0.1027000    
 C   -1.505300       1.984200      -1.280500    
 C  -0.6563000       1.328700      0.8842000    
 C  -0.6274000       3.068200      -1.296600    
 C   0.2214000       2.412700      0.8683000    
 C   0.2357000       3.282400     -0.2222000    
 H   -2.235300     -0.7091000       1.907200    
 H    2.037700     -0.8221000      -1.636100    
 H    3.173100      -2.179100      -1.628600    
 H    4.926300     -0.8718000     -0.6621000    
 H    4.185000      0.1313000      -1.912700    
 H    1.009400      -3.133100       1.285500    
 H    1.886400      -3.801700     -8.9100003E-02
 H    4.489300     -0.2021000       1.831700    
 H    3.092400      0.8574000       2.065800    
 H    2.235900      -1.426200       2.360500    
 H  -0.5103000      -3.571600     -0.5817000    
 H   0.4102000      -2.498800      -1.657300    
 H   -4.657500       1.071100       1.275900    
 H   -4.200100      0.4506000       2.868000    
 H   -3.166900       1.621900       2.055700    
 H   -4.901200      -1.400000      0.5876000    
 H   -4.317700      -1.903600       2.172900    
 H   -3.509200      -2.494000      0.7255000    
 H    4.843200       2.218800     -0.8722000    
 H    5.733400       1.310300      0.3682000    
 H    4.503900       2.509000      0.8278000    
 H   -4.086900     -0.5396000      -1.173600    
 H   -2.152600       1.833500      -2.137900    
 H  -0.6259000      0.6619000       1.737500    
 H  -0.6126000       3.743000      -2.147500    
 H   0.8982000       2.576400       1.701900    
 H   0.9215000       4.124500     -0.2358000    


%chk=000056544-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056544

0 1
O -0.727187 -1.750329 -0.195873
O -3.830221 0.069752 -0.807333
O -2.247382 -1.777607 -1.955899
N 3.651691 0.578608 0.606172
C -2.508634 -0.070597 -0.194144
C -2.713641 -0.288312 1.343894
C 2.755532 -1.134686 -0.950473
C 2.197848 -1.863939 0.263149
C 3.969174 -0.261391 -0.573347
C 1.306076 -3.073424 0.023011
C 3.382480 -0.241546 1.810711
C -1.629426 1.173329 -0.494562
C 2.506586 -1.441088 1.517178
C -1.834871 -1.289148 -0.872192
C 0.094768 -2.797609 -0.877293
C -3.429403 0.930955 1.967505
C -3.498750 -1.589283 1.624317
C 4.668519 1.615028 0.866202
C -2.190526 2.275438 -1.183270
C -0.275313 1.236765 -0.075523
C -1.409223 3.422517 -1.451793
C 0.507203 2.380091 -0.351428
C -0.057473 3.478937 -1.040117
H -1.701307 -0.376713 1.783920
H 1.970446 -0.490438 -1.394953
H 3.054340 -1.863558 -1.732319
H 4.856151 -0.920060 -0.380513
H 4.231597 0.407254 -1.413915
H 0.953171 -3.483914 0.987031
H 1.886576 -3.877162 -0.479784
H 4.337564 -0.601770 2.284307
H 2.889737 0.401938 2.567596
H 2.112495 -1.976222 2.391945
H -0.529564 -3.698246 -1.016311
H 0.379596 -2.412700 -1.872979
H -4.421515 1.069986 1.503581
H -3.570194 0.771179 3.052327
H -2.850406 1.860578 1.828563
H -4.492478 -1.544204 1.145652
H -3.642233 -1.719534 2.712453
H -2.967717 -2.482928 1.246703
H 4.777173 2.263650 -0.021222
H 5.676117 1.193957 1.114705
H 4.347962 2.246585 1.714739
H -3.808970 -0.429705 -1.670949
H -3.239036 2.221227 -1.490397
H 0.184350 0.394092 0.451815
H -1.857405 4.270507 -1.982779
H 1.557098 2.383681 -0.035127
H 0.548323 4.366758 -1.255980


