%chk=000002877.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002877

0 1
 O    2.142100      0.2962000       1.148400    
 O   -2.466000      -2.260000     -0.9235000    
 N    2.274300      9.5100001E-02  -1.168700    
 N  -0.9772000       2.495100       1.363400    
 C    2.115900      -1.870100      0.2318000    
 C    2.771600      -2.527600       1.397300    
 C    1.274900      -2.471900       1.304900    
 C    2.178600     -0.3823000      0.1286000    
 C    2.345100       1.494400      -1.494000    
 C   0.9546000       2.113500      -1.711400    
 C   6.1000001E-02   2.017700     -0.5396000    
 C  -0.8413000      0.9570000     -0.2468000    
 C   -1.479700       1.281200      0.9521000    
 C  -4.5600001E-02   2.948200      0.4681000    
 C   -1.177100     -0.2515000     -0.8886000    
 C   -2.441000      0.4540000       1.543700    
 C   -2.136800      -1.088900     -0.3086000    
 C   -2.757900     -0.7397000      0.8888000    
 C   -1.795500      -2.560300      -2.145700    
 H    2.151200      -2.414400     -0.7079000    
 H    3.253100      -1.918000       2.151800    
 H    3.250000      -3.486000       1.233600    
 H   0.7486000      -3.391200       1.077200    
 H   0.7497000      -1.823400       1.995300    
 H    2.284900     -0.5664000      -1.939300    
 H    2.939800       1.588900      -2.408400    
 H    2.871900       2.019800     -0.6892000    
 H    1.084500       3.167200      -1.989600    
 H   0.4801000       1.631600      -2.575800    
 H   0.4574000       3.891300      0.6307000    
 H   -1.255900       2.980800       2.204700    
 H  -0.6664000     -0.4740000      -1.817300    
 H   -2.924800      0.7250000       2.476100    
 H   -3.501400      -1.401300       1.327300    
 H   -2.177300      -3.525400      -2.494700    
 H  -0.7171000      -2.680800      -1.994800    
 H   -2.027600      -1.825800      -2.924400    


%chk=000002877-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002877

0 1
O 3.838026 -0.560717 -0.473023
O -2.336569 -2.379828 -0.962961
N 1.920305 0.411312 0.438959
N -2.218536 3.027260 0.441019
C 2.288584 -1.979195 0.759778
C 2.635237 -3.261302 -0.033797
C 3.379910 -2.953257 1.258011
C 2.753880 -0.667250 0.187252
C 2.187445 1.763694 -0.068098
C 1.120342 2.247537 -1.093845
C -0.285619 2.286281 -0.540966
C -1.221491 1.174905 -0.450158
C -2.420922 1.667468 0.169858
C -0.936601 3.394485 0.010141
C -1.147979 -0.190062 -0.853689
C -3.538506 0.833181 0.404898
C -2.266822 -1.014201 -0.619082
C -3.449620 -0.510252 0.008210
C -1.175544 -2.955903 -1.641876
H 1.339840 -1.968599 1.308265
H 3.180313 -3.105453 -0.968780
H 1.899019 -4.070607 -0.036442
H 3.158066 -3.543663 2.151226
H 4.408691 -2.595508 1.164548
H 1.037113 0.251160 0.928483
H 3.184184 1.728872 -0.541556
H 2.225666 2.474676 0.780440
H 1.421865 3.257034 -1.434086
H 1.164729 1.585530 -1.979887
H -0.580038 4.417757 0.117472
H -2.899632 3.652010 0.865809
H -0.245530 -0.569030 -1.341370
H -4.451182 1.210282 0.879159
H -4.281810 -1.203288 0.163045
H -1.436987 -4.009825 -1.818643
H -0.264976 -2.895686 -1.013036
H -0.984151 -2.451819 -2.609780


