%chk=000054607.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054607

0 1
 O   -1.659000       2.822800      -1.030200    
 N  -0.2591000       1.474000      0.2498000    
 N    3.853300     -0.9408000      0.3422000    
 C    1.005100     -0.4818000     -0.4924000    
 C  -0.3296000      0.2834000     -0.5702000    
 C    2.200400      0.3549000     -0.9696000    
 C    3.513300     -0.4312000     -0.9807000    
 C   -1.534600     -0.5503000     -0.1879000    
 C   -2.200200      -1.263200      -1.169200    
 C   -1.942700     -0.5800000       1.133700    
 C    4.023200      0.1609000       1.291200    
 C    5.069900      -1.753300      0.2849000    
 C  -0.9335000       2.642200     -5.5700000E-02
 C   -3.310200      -2.031100     -0.8173000    
 C   -3.052700      -1.347900       1.485600    
 C   -3.736500      -2.073600      0.5102000    
 C  -0.7071000       3.715000      0.9755000    
 H    1.169600     -0.8142000      0.5405000    
 H   0.9362000      -1.390800      -1.103900    
 H  -0.4706000      0.6239000      -1.605200    
 H    2.297800       1.277600     -0.3881000    
 H    2.001900      0.6809000      -1.999300    
 H    4.311600      0.2094000      -1.378300    
 H    3.402000      -1.269600      -1.680300    
 H   0.2654000       1.425500       1.119300    
 H   -1.874300      -1.238300      -2.204900    
 H   -1.420300     -4.1700002E-02   1.918400    
 H    3.074900      0.6575000       1.518200    
 H    4.742700      0.9087000      0.9381000    
 H    4.383600     -0.2199000       2.254500    
 H    5.938700      -1.174100     -4.8599999E-02
 H    4.935900      -2.599500     -0.3982000    
 H    5.295500      -2.179500       1.268800    
 H   -3.842100      -2.596700      -1.576700    
 H   -3.382200      -1.384700       2.520000    
 H   -4.600000      -2.672500      0.7845000    
 H   -1.062000       4.675400      0.5917000    
 H   -1.257100       3.465400       1.887000    
 H   0.3587000       3.802900       1.205200    


%chk=000054607-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054607

0 1
O -1.241238 2.419025 0.434176
N 0.430633 0.794640 0.371196
N 3.229453 0.258186 0.443920
C 0.793938 -0.963165 -1.342081
C -0.195347 0.089383 -0.762181
C 2.185729 -0.431649 -1.787251
C 3.317885 -0.638331 -0.751512
C -1.507096 -0.608475 -0.376728
C -2.607290 -0.598671 -1.266479
C -1.615472 -1.332675 0.835855
C 3.721246 1.626378 0.131792
C 3.938660 -0.311851 1.617836
C -0.155843 1.933473 0.888176
C -3.791787 -1.304569 -0.958411
C -2.798770 -2.036096 1.150995
C -3.891017 -2.029023 0.252023
C 0.571598 2.575145 2.070805
H 0.926480 -1.772347 -0.595180
H 0.283056 -1.430031 -2.204595
H -0.433920 0.831355 -1.553133
H 2.113460 0.635602 -2.075700
H 2.496430 -0.971575 -2.703260
H 4.309391 -0.508881 -1.249428
H 3.273538 -1.683847 -0.391273
H 1.425636 0.541721 0.610254
H -2.544111 -0.015941 -2.194169
H -0.776688 -1.321079 1.542409
H 3.132848 2.059051 -0.694376
H 4.797034 1.628735 -0.161292
H 3.596930 2.278750 1.013269
H 5.029188 -0.457778 1.434018
H 3.496471 -1.288149 1.881269
H 3.824871 0.363964 2.483988
H -4.639678 -1.279098 -1.652631
H -2.873392 -2.585615 2.096857
H -4.811378 -2.571540 0.496814
H 0.764212 3.639471 1.850237
H -0.090590 2.540415 2.954136
H 1.520829 2.070791 2.322254


