%chk=000101072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101072

0 1
 O   -2.563500      -1.832800     -0.3796000    
 N   -4.263100      -1.057200      0.9569000    
 C    3.894100     -0.4503000      9.0700001E-02
 C    3.148900      0.7906000     -0.4389000    
 C    1.651100      0.7229000     -0.2657000    
 C   -1.099700      0.6000000      5.1500000E-02
 C   -2.579900      0.5340000      0.2225000    
 C    3.584400     -0.7199000       1.565400    
 C    3.520000      -1.675800     -0.7467000    
 C   0.8753000      0.1696000      -1.272000    
 C    1.078400       1.216000      0.8962000    
 C  -0.5090000      0.1079000      -1.112400    
 C  -0.3060000       1.154200       1.055800    
 C   -3.327100       1.350400     -0.8488000    
 C   -3.103700     -0.9096000      0.2251000    
 H    4.970800     -0.2700000     -1.6899999E-02
 H    3.389800      0.9483000      -1.498700    
 H    3.527800       1.684100      7.5599998E-02
 H   -2.840900      0.9728000       1.195800    
 H    3.769400      0.1710000       2.174300    
 H    4.236800      -1.515100       1.943700    
 H    2.553700      -1.050300       1.727200    
 H    2.489900      -2.004200     -0.5776000    
 H    3.656300      -1.482600      -1.815900    
 H    4.169000      -2.518700     -0.4829000    
 H    1.322300     -0.2080000      -2.187000    
 H    1.684900       1.655400       1.682700    
 H   -1.105400     -0.3161000      -1.915500    
 H  -0.7497000       1.543500       1.968300    
 H   -2.967200       2.384700     -0.8763000    
 H   -3.203500      0.9202000      -1.848900    
 H   -4.402100       1.371400     -0.6385000    
 H   -4.706100     -0.2822000       1.439800    
 H   -4.718200      -1.960700       1.034200    


%chk=000101072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101072

0 1
O -3.670050 -1.218662 -1.193139
N -3.451924 -1.475959 1.100111
C 3.856690 -0.539052 0.156142
C 3.121280 0.715334 -0.430709
C 1.604958 0.708818 -0.292802
C -1.256625 0.676519 -0.023101
C -2.785704 0.694247 0.109528
C 3.652655 -0.675049 1.683128
C 3.462764 -1.845121 -0.572254
C 0.775539 0.137472 -1.294957
C 0.968673 1.271957 0.843390
C -0.629071 0.118990 -1.167073
C -0.437675 1.253728 0.978144
C -3.442112 1.646952 -0.919691
C -3.347041 -0.737203 -0.067508
H 4.938530 -0.363222 -0.026162
H 3.392793 0.795102 -1.501931
H 3.531954 1.612963 0.072811
H -3.035850 1.045154 1.130657
H 3.971916 0.240853 2.216088
H 4.241421 -1.522584 2.080807
H 2.589430 -0.856784 1.924748
H 2.392596 -2.076295 -0.421196
H 3.644341 -1.770626 -1.661321
H 4.051875 -2.698530 -0.187736
H 1.239599 -0.292262 -2.191284
H 1.580928 1.736852 1.626080
H -1.246134 -0.334664 -1.951794
H -0.902741 1.706273 1.863773
H -3.003002 2.656838 -0.842052
H -3.282171 1.265530 -1.941838
H -4.532323 1.717280 -0.754800
H -3.153052 -1.106542 2.000828
H -3.764669 -2.444804 1.038511


