%chk=000057244.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057244

0 1
 O    2.644400      -2.431300     -0.3746000    
 N   -3.571800      0.8900000      0.1403000    
 N   0.9958000     -0.9550000      0.4769000    
 C   -1.278700     -5.5599999E-02  0.2522000    
 C   -1.508700     -0.7875000      -1.074600    
 C   -2.612200      0.1647000      0.9864000    
 C   -2.566700     -6.8499997E-02  -1.904700    
 C   -3.847700      0.1541000      -1.100900    
 C  -0.2972000     -0.8283000       1.131200    
 C   -4.813100       1.140500      0.8730000    
 C    1.734500      0.2714000      0.2134000    
 C    1.566500      -2.220400      0.1724000    
 C    2.618500      0.2712000     -0.8276000    
 C    1.496700       1.345100       1.023300    
 C   0.7902000      -3.427800      0.6054000    
 C    3.326100       1.446400      -1.080600    
 C    2.204300       2.520200      0.7702000    
 C    3.119000       2.570800     -0.2818000    
 H  -0.8837000      0.9390000      1.2300000E-02
 H   -1.840700      -1.816100     -0.8856000    
 H  -0.5847000     -0.8498000      -1.660000    
 H   -3.030600     -0.7996000       1.305600    
 H   -2.414900      0.7490000       1.894200    
 H   -2.171800      0.8976000      -2.244200    
 H   -2.791700     -0.6545000      -2.803000    
 H   -4.546300      0.7258000      -1.723900    
 H   -4.320000     -0.8134000     -0.8853000    
 H  -0.7406000      -1.802200       1.348400    
 H  -0.1732000     -0.3766000       2.121100    
 H   -4.615600       1.732900       1.773400    
 H   -5.311600      0.2118000       1.173300    
 H   -5.509900       1.724000      0.2611000    
 H    2.758400     -0.5426000      -1.526600    
 H   0.8185000       1.355500       1.866300    
 H  -0.1714000      -3.473300      8.8100001E-02
 H   0.6528000      -3.428300       1.690100    
 H    1.346400      -4.334100      0.3433000    
 H    4.024900       1.492500      -1.910900    
 H    2.046800       3.395100       1.394400    
 H    3.667600       3.486800     -0.4807000    


%chk=000057244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057244

0 1
O 2.760450 -2.326485 -0.246738
N -3.620302 0.850200 0.052079
N 1.044395 -0.954494 0.566358
C -1.313298 -0.099191 0.192592
C -1.578992 -0.922615 -1.088481
C -2.643416 0.171362 0.932745
C -2.637810 -0.222329 -1.968817
C -3.921019 0.050213 -1.159307
C -0.313672 -0.794435 1.150904
C -4.840837 1.247651 0.779406
C 1.787854 0.262002 0.297325
C 1.605403 -2.210980 0.263094
C 2.458174 0.443740 -0.939347
C 1.833214 1.294738 1.268125
C 0.780896 -3.460207 0.587848
C 3.158738 1.641558 -1.194126
C 2.530355 2.493896 1.003377
C 3.197365 2.674619 -0.229112
H -0.897814 0.884452 -0.102966
H -1.951779 -1.930791 -0.803704
H -0.639112 -1.068145 -1.653331
H -3.051870 -0.803609 1.322318
H -2.460526 0.822536 1.810164
H -2.236806 0.741333 -2.336523
H -2.882090 -0.844393 -2.851160
H -4.648549 0.612923 -1.773788
H -4.400876 -0.929980 -0.888631
H -0.699640 -1.787484 1.429052
H -0.243955 -0.211245 2.090085
H -4.574659 1.909704 1.623070
H -5.416130 0.378315 1.190616
H -5.510294 1.809061 0.103318
H 2.445482 -0.355184 -1.683491
H 1.342521 1.162429 2.238151
H -0.184854 -3.478626 0.052047
H 0.578125 -3.556279 1.670299
H 1.379201 -4.325788 0.267564
H 3.675331 1.766987 -2.152222
H 2.557929 3.280812 1.765415
H 3.741468 3.603232 -0.432906


