%chk=000040116.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040116

0 1
 O    1.399800      -2.456500      5.0000002E-04
 N   -3.486900     -0.9481000       0.000000    
 C   0.1871000     -0.3668000     -9.9999997E-05
 C   0.2303000       1.047800       0.000000    
 C   -1.058200      -1.015900     -1.9999999E-04
 C    1.390600      -1.090700     -3.0000001E-04
 C  -0.9733000       1.771600      1.9999999E-04
 C   -2.244000     -0.2810000     -9.9999997E-05
 C    1.475600       1.696900      1.9999999E-04
 C   -2.201600       1.110100      9.9999997E-05
 C    2.619100     -0.4293000     -1.9999999E-04
 C    2.661500      0.9618000       0.000000    
 H   -1.113300      -2.103300     -3.0000001E-04
 H  -0.9639000       2.859700      3.9999999E-04
 H    1.532700       2.783400      3.0000001E-04
 H   -3.118900       1.693500      1.9999999E-04
 H    3.552300     -0.9865000     -1.9999999E-04
 H    3.618000       1.476300      9.9999997E-05
 H   -4.346900     -0.4160000     -6.0000003E-04
 H   -3.519200      -1.959000     -6.9999998E-04
 H    2.319800      -2.771900      5.0000002E-04


%chk=000040116-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040116

0 1
O 1.340346 -2.494213 -0.000070
N -3.510744 -0.958657 -0.000108
C 0.191833 -0.370861 -0.000012
C 0.248112 1.076792 0.000071
C -1.064261 -1.045333 -0.000090
C 1.440857 -1.087242 -0.000025
C -0.996270 1.789624 0.000068
C -2.270045 -0.317418 -0.000089
C 1.515284 1.747431 0.000150
C -2.218230 1.123041 -0.000009
C 2.667882 -0.416958 0.000070
C 2.702611 1.012680 0.000162
H -1.070167 -2.139994 -0.000155
H -0.973920 2.886245 0.000134
H 1.538509 2.843227 0.000220
H -3.156383 1.692434 0.000007
H 3.608004 -0.984881 0.000094
H 3.671541 1.523189 0.000244
H -4.374103 -0.424542 -0.000409
H -3.570017 -1.972466 -0.000337
H 2.239761 -2.905999 -0.000115


