%chk=000003753.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003753

0 1
 O   0.1913000      -1.066000       2.302600    
 O   -1.321500      -2.519100      -1.907800    
 O   8.7300003E-02  0.1905000      -2.305300    
 O   -2.135000      -2.218200       1.861400    
 N    2.903800       1.976100      0.1764000    
 C   0.4197000     -0.7310000     -8.6900003E-02
 C   -2.572200      -1.239400     -0.2824000    
 C  -0.4902000     -0.6126000       1.140200    
 C   -1.691300      -1.193200      -1.534900    
 C  -0.3640000     -0.4794000      -1.373800    
 C    1.634300      0.1693000      1.1100000E-02
 C   -1.746600      -1.451300      0.9782000    
 C    2.991400     -0.2473000      1.5600000E-02
 C   -3.509500     -5.7200000E-02 -0.1055000    
 C    1.608400       1.538000      0.1109000    
 C    3.770000      0.9074000      0.1204000    
 C    3.638400      -1.496800     -5.9300002E-02
 C   -4.788400     -0.2577000      0.4079000    
 C   -3.085800       1.221800     -0.4579000    
 C    5.168500      0.8749000      0.1542000    
 C    3.290100       3.366200      0.2898000    
 C    5.036800      -1.544800     -2.6699999E-02
 C    5.788200     -0.3758000      7.8400001E-02
 C   -5.649100      0.8279000      0.5702000    
 C   -3.946400       2.307400     -0.2954000    
 C   -5.228100       2.110500      0.2186000    
 H   0.7720000      -1.769300     -0.1547000    
 H   -3.197000      -2.140000     -0.3823000    
 H  -0.7965000      0.4249000       1.315600    
 H   -2.240600     -0.7580000      -2.378000    
 H   0.7797000       2.233300      0.1394000    
 H  -0.3769000     -0.8742000       3.068200    
 H  -0.9099000      -2.473900      -2.788000    
 H    3.071200      -2.419400     -0.1415000    
 H   -5.128000      -1.251200      0.6880000    
 H   -2.094000       1.416400     -0.8491000    
 H    5.759200       1.781100      0.2359000    
 H    3.855900       3.492300       1.216400    
 H    3.902400       3.625700     -0.5776000    
 H    2.396600       3.995100      0.3134000    
 H    5.541200      -2.505700     -8.4100001E-02
 H    6.873300     -0.4362000      0.1020000    
 H   -6.646800      0.6749000      0.9712000    
 H   -3.617900       3.306500     -0.5663000    
 H   -5.897900       2.955800      0.3460000    


%chk=000003753-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003753

0 1
O 0.342712 -1.061634 1.985186
O -1.234759 -2.245074 -2.200032
O -0.460090 1.117759 -2.142806
O -1.839045 -2.481193 1.421753
N 3.192968 2.057126 -0.189142
C 0.417881 -0.462274 -0.445614
C -2.586566 -1.197058 -0.529535
C -0.452587 -0.571209 0.888846
C -1.747067 -0.919411 -1.796942
C -0.553198 0.025760 -1.523495
C 1.675282 0.339508 -0.266668
C -1.657506 -1.499397 0.651052
C 2.953674 -0.194421 0.172738
C -3.576412 -0.089925 -0.124520
C 1.865290 1.710000 -0.472176
C 3.885136 0.902533 0.203369
C 3.407377 -1.486756 0.543208
C -4.550820 -0.405696 0.859064
C -3.555202 1.215670 -0.677159
C 5.238354 0.740773 0.575502
C 3.779554 3.391346 -0.311665
C 4.756223 -1.657766 0.910386
C 5.663397 -0.556745 0.925929
C -5.489443 0.559830 1.278870
C -4.500917 2.180411 -0.257750
C -5.468503 1.859400 0.719738
H 0.676839 -1.511175 -0.697490
H -3.153157 -2.125891 -0.728467
H -0.819233 0.446490 1.135014
H -2.371644 -0.472062 -2.594246
H 1.161557 2.455719 -0.831716
H -0.098276 -1.900409 2.308942
H -0.819435 -2.177785 -3.097614
H 2.715414 -2.335251 0.563464
H -4.568504 -1.411640 1.295544
H -2.817397 1.495113 -1.436381
H 5.936218 1.585133 0.594685
H 4.181515 3.737405 0.658719
H 4.598745 3.398988 -1.054876
H 3.005082 4.101972 -0.640966
H 5.118271 -2.650814 1.199355
H 6.705796 -0.722505 1.220707
H -6.235700 0.299046 2.037251
H -4.478024 3.183693 -0.697547
H -6.197701 2.610717 1.041985


