%chk=000166751.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166751

0 1
 O   -2.313100      -1.259500      0.5753000    
 O  -0.1703000      -2.542900     -0.1575000    
 N    1.070100       1.705000      0.3316000    
 N    1.628100      0.4902000      0.1937000    
 N   -2.974400      0.7309000     -0.3824000    
 N    2.105700      -2.178600     -0.1049000    
 C  -0.6530000      0.3697000      0.1942000    
 C    1.912400       2.870500      0.4554000    
 C   0.5706000     -0.3215000      0.1101000    
 C  -0.2938000       1.687600      0.3380000    
 C   -1.994500     -0.1282000      0.1473000    
 C    2.239500       3.489300     -0.8928000    
 C   0.7743000      -1.734200     -4.7600001E-02
 C   -4.375100      0.3857000     -0.4702000    
 C    2.473600      -3.564000     -0.2900000    
 H    1.390600       3.594600       1.090700    
 H    2.829000       2.572000      0.9761000    
 H  -0.8728000       2.595100      0.4457000    
 H    2.766300       2.776700      -1.536400    
 H    2.877300       4.368900     -0.7625000    
 H    1.329100       3.801300      -1.415500    
 H   -2.695300       1.633100     -0.7557000    
 H    2.853800      -1.493700     -4.3600000E-02
 H   -4.691600     -0.1218000      0.4447000    
 H   -4.515100     -0.2809000      -1.324900    
 H   -4.953200       1.301400     -0.6122000    
 H    1.836600      -4.203100      0.3266000    
 H    3.520800      -3.689100     -5.9000002E-03
 H    2.338800      -3.821300      -1.343500    


%chk=000166751-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166751

0 1
O -2.996722 1.753826 0.461904
O -0.621668 -2.149549 -0.612768
N 1.177832 1.963320 0.504920
N 1.543678 0.680163 0.147104
N -2.764563 -0.494714 -0.155995
N 1.696414 -1.921300 -0.543403
C -0.772546 0.880434 0.210938
C 2.220178 2.983116 0.722289
C 0.352105 0.011471 -0.031394
C -0.190201 2.115917 0.547848
C -2.267343 0.739662 0.180900
C 2.787447 3.532089 -0.601329
C 0.421014 -1.428828 -0.415887
C -4.205615 -0.746369 -0.219364
C 1.979772 -3.309114 -0.912768
H 1.768633 3.791307 1.322985
H 3.019335 2.515276 1.322037
H -0.690290 3.045309 0.806599
H 3.231864 2.717762 -1.198163
H 3.572172 4.280519 -0.391397
H 1.998007 4.015746 -1.202485
H -2.085865 -1.258374 -0.366742
H 2.457619 -1.259409 -0.362365
H -4.732466 0.199487 -0.014206
H -4.512021 -1.498001 0.532840
H -4.496528 -1.115263 -1.220630
H 1.018179 -3.820323 -1.076713
H 2.529936 -3.831915 -0.108463
H 2.576041 -3.359043 -1.842492


