%chk=000044710.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044710

0 1
 O    3.407300      -1.700400     -0.8633000    
 N   -2.491300      -2.480400      0.3281000    
 C  -0.8724000      0.7868000     -0.8285000    
 C   -1.709600       1.743800      9.7599998E-02
 C  -0.8641000       2.923900      0.5904000    
 C   0.5396000      0.5375000     -0.2564000    
 C   -1.641600     -0.5551000     -0.9398000    
 C   0.2842000       2.421200       1.449300    
 C    1.069100       1.320300      0.7903000    
 C  -0.7100000       1.372000      -2.251100    
 C   -2.999600       2.289100     -0.5314000    
 C   -1.807600      -1.219400      0.4095000    
 C    1.362700     -0.4690000     -0.8048000    
 C    2.359300       1.053500       1.285400    
 C    2.646400     -0.7150000     -0.3139000    
 C    3.143400      4.3499999E-02  0.7362000    
 C   -3.842800      -2.323000     -0.2327000    
 C   -2.580700      -3.128700       1.646200    
 C    4.707600      -1.900700     -0.3112000    
 H   -2.011800       1.241300       1.018300    
 H   -1.473400       3.615100       1.185900    
 H  -0.4775000       3.501300     -0.2582000    
 H   -1.141900      -1.244700      -1.631700    
 H   -2.613200     -0.3504000      -1.400900    
 H  -0.1058000       2.042200       2.402400    
 H   0.9440000       3.267300       1.677400    
 H  -0.1255000      0.7082000      -2.899000    
 H   -1.675900       1.513300      -2.747100    
 H  -0.1925000       2.337300      -2.234900    
 H   -3.656600       1.487200     -0.8775000    
 H   -3.565900       2.867400      0.2080000    
 H   -2.793100       2.959700      -1.371400    
 H  -0.8237000      -1.393500      0.8589000    
 H   -2.363900     -0.5963000       1.112300    
 H    1.013100      -1.075100      -1.637100    
 H    2.759500       1.643000       2.107500    
 H    4.126400     -9.3400002E-02   1.172800    
 H   -4.391600      -3.270800     -0.1750000    
 H   -4.427900      -1.563400      0.2984000    
 H   -3.812500      -2.076000      -1.298100    
 H   -1.580300      -3.286900       2.064400    
 H   -3.164900      -2.535300       2.358900    
 H   -3.042200      -4.118400       1.556900    
 H    5.343800      -1.020000     -0.4499000    
 H    5.172100      -2.721400     -0.8677000    
 H    4.655800      -2.214400      0.7369000    


%chk=000044710-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044710

0 1
O 3.216984 -1.846340 -0.743440
N -2.487088 -2.576982 0.255745
C -0.894554 0.879081 -0.750642
C -1.685092 1.930055 0.118981
C -0.793557 3.136795 0.496448
C 0.517040 0.626030 -0.150447
C -1.710891 -0.455960 -0.856452
C 0.361539 2.682901 1.404627
C 1.109437 1.488596 0.823843
C -0.694442 1.405618 -2.207911
C -3.005019 2.416484 -0.522985
C -1.943697 -1.210600 0.468657
C 1.278818 -0.465960 -0.631502
C 2.424859 1.218823 1.270118
C 2.588897 -0.722481 -0.171397
C 3.180026 0.126483 0.794240
C -3.860784 -2.578027 -0.286314
C -2.387309 -3.398536 1.479316
C 4.576582 -2.153693 -0.298891
H -1.947484 1.427027 1.073945
H -1.405757 3.898008 1.018483
H -0.395973 3.619919 -0.418029
H -1.196263 -1.153633 -1.543224
H -2.678575 -0.217933 -1.336793
H -0.054502 2.408840 2.397688
H 1.069338 3.514905 1.585856
H -0.062946 0.705371 -2.782906
H -1.661827 1.498715 -2.734152
H -0.193707 2.390030 -2.222052
H -3.672931 1.584220 -0.809306
H -3.558539 3.049862 0.195555
H -2.818401 3.028854 -1.424347
H -0.973918 -1.319477 0.989059
H -2.615058 -0.616460 1.143428
H 0.871335 -1.153878 -1.378820
H 2.875041 1.889670 2.013243
H 4.195198 -0.041589 1.165682
H -4.198069 -3.619925 -0.432507
H -4.598493 -2.066107 0.386416
H -3.887911 -2.076529 -1.268412
H -1.334580 -3.443266 1.810656
H -3.002452 -3.007974 2.331493
H -2.722611 -4.429397 1.264125
H 5.276223 -1.327294 -0.533715
H 4.866333 -3.054109 -0.860857
H 4.609280 -2.366936 0.787895


