%chk=000041257.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041257

0 1
 O   -5.096600      5.4200001E-02 -6.0000003E-04
 O    5.339100     -0.5945000      3.9999999E-04
 O    4.851700       1.545900     -1.9999999E-04
 N    4.503300      0.3408000      1.9999999E-04
 C  -0.3659000       1.630100      1.9999999E-04
 C   0.8359000      0.7085000     -9.9999997E-05
 C   -1.513000      0.6414000      9.9999997E-05
 C   0.4229000     -0.6429000     -3.0000001E-04
 C   -1.023600     -0.6842000     -9.9999997E-05
 C    2.175500       1.055200     -1.9999999E-04
 C   -2.870400      0.9109000      5.0000002E-04
 C    1.358200      -1.664300     -3.0000001E-04
 C   -1.899000      -1.757300      9.9999997E-05
 C    3.118000      2.5400000E-02 -1.9999999E-04
 C   -3.752500     -0.1710000      5.0000002E-04
 C    2.713500      -1.320700     -9.9999997E-05
 C   -3.271800      -1.491800      1.9999999E-04
 C   -5.525300       1.414300     -1.9999999E-04
 H  -0.3833000       2.243800      0.9055000    
 H  -0.3835000       2.244200     -0.9049000    
 H    2.452500       2.104600     -9.9999997E-05
 H   -3.173400       1.950700      6.0000003E-04
 H    1.060800      -2.707600     -1.9999999E-04
 H   -1.543000      -2.782100     -9.9999997E-05
 H    3.437400      -2.132700     -9.9999997E-05
 H   -3.973900      -2.322300       0.000000    
 H   -5.209600       1.936100      0.9096000    
 H   -6.620300       1.408000     -6.9999998E-04
 H   -5.208900       1.936700     -0.9095000    


%chk=000041257-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041257

0 1
O -5.169403 0.015427 -0.000202
O 5.462350 -0.691922 0.000075
O 4.977068 1.538850 0.000008
N 4.621348 0.292810 0.000154
C -0.317351 1.663526 0.000049
C 0.890552 0.734952 0.000048
C -1.491550 0.691521 -0.000036
C 0.454185 -0.630942 -0.000022
C -1.012483 -0.653074 -0.000079
C 2.251572 1.054659 0.000101
C -2.867665 0.975755 -0.000074
C 1.400469 -1.684574 -0.000033
C -1.930178 -1.733086 -0.000165
C 3.179596 -0.018316 0.000096
C -3.776716 -0.116548 -0.000154
C 2.773723 -1.375422 0.000026
C -3.307859 -1.461149 -0.000199
C -5.732640 1.368493 0.000111
H -0.326880 2.325612 0.887767
H -0.326819 2.325695 -0.887605
H 2.622945 2.082954 0.000148
H -3.222614 2.010570 -0.000052
H 1.076978 -2.730479 -0.000091
H -1.581167 -2.771243 -0.000200
H 3.540371 -2.154454 0.000023
H -4.050593 -2.264211 -0.000259
H -5.429830 1.929490 0.905423
H -6.822503 1.224713 0.000250
H -5.430107 1.929792 -0.905107


