%chk=000137707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137707

0 1
 O  -0.3730000      -1.294800      -1.058500    
 N   0.8564000     -0.6162000      0.7922000    
 C    3.007200     -0.3868000     -0.3975000    
 C   -2.697800      3.6200002E-02 -0.2383000    
 C    2.093900      -1.274100      0.4418000    
 C   -1.432400      9.7099997E-02  0.6142000    
 C    3.420100      0.8918000      0.3351000    
 C   -3.848400      0.7975000      0.4185000    
 C  -0.2826000     -0.6841000      3.1000001E-03
 C    4.377300       1.726500     -0.5014000    
 C   -5.120700      0.7068000     -0.4090000    
 H    2.503100     -0.1208000      -1.334900    
 H    3.903100     -0.9595000     -0.6659000    
 H   -2.495200      0.4547000      -1.232100    
 H   -2.988900      -1.010700     -0.3904000    
 H    2.587800      -1.556700       1.377400    
 H    1.865300      -2.192800     -0.1093000    
 H   -1.113400       1.139100      0.7366000    
 H   -1.632000     -0.3144000       1.610900    
 H    3.903100      0.6363000       1.285400    
 H    2.538200       1.498000      0.5708000    
 H   -3.573600       1.851200      0.5441000    
 H   -4.042000      0.3911000       1.418000    
 H   0.8320000     -7.9800002E-02   1.654800    
 H    3.913600       2.024800      -1.447100    
 H    4.660100       2.635000      3.9700001E-02
 H    5.291000       1.167600     -0.7273000    
 H   -5.440800     -0.3337000     -0.5237000    
 H   -4.971000       1.132500      -1.406400    
 H   -5.929900       1.259400      7.8400001E-02


%chk=000137707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137707

0 1
O -0.478398 -1.981212 -0.286881
N 0.849069 -0.549764 0.982112
C 2.969153 -0.368534 -0.378911
C -2.603915 0.086559 -0.140833
C 2.122492 -1.195966 0.616733
C -1.599938 -0.208808 0.997871
C 3.468163 0.980420 0.187833
C -3.930101 0.689270 0.373036
C -0.376555 -0.988734 0.498990
C 4.339071 1.762436 -0.819322
C -4.928084 0.982948 -0.767888
H 2.372870 -0.194832 -1.295875
H 3.843864 -0.981624 -0.678345
H -2.140855 0.778184 -0.873536
H -2.797928 -0.859022 -0.681084
H 2.706907 -1.389740 1.538548
H 1.852526 -2.167276 0.167037
H -1.297848 0.730423 1.503201
H -2.103614 -0.837167 1.760648
H 4.049558 0.794449 1.114894
H 2.599462 1.606890 0.478234
H -3.723451 1.624139 0.934218
H -4.391534 -0.013490 1.097079
H 0.868785 0.267090 1.593898
H 3.770361 1.989019 -1.740565
H 4.691509 2.720043 -0.394188
H 5.228865 1.173869 -1.112166
H -5.173734 0.059049 -1.324081
H -4.503460 1.705204 -1.490572
H -5.872740 1.407377 -0.380884


