%chk=000129007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129007

0 1
 O   5.9000000E-02  -2.091700      0.2432000    
 O   -3.050700       2.759100      0.1414000    
 O    3.582500       2.150500      0.1252000    
 O   -3.235600      -2.399000      -1.217100    
 O    4.478100     -0.4008000     -0.4515000    
 N   -2.111300     -0.3933000      -1.140000    
 N   -4.167000      0.7140000      0.1736000    
 C   -1.779200      0.7992000     -0.3822000    
 C  -0.9423000      0.4974000      0.8517000    
 C   0.5002000      0.2414000      0.5017000    
 C   -3.059800       1.539800     -3.1300001E-02
 C   -4.011700     -0.7279000      0.3209000    
 C   -3.122700      -1.257600     -0.7760000    
 C   0.9341000      -1.045800      0.2141000    
 C    1.381300       1.314000      0.4745000    
 C    2.273800      -1.264500     -0.1067000    
 C    2.721100       1.095600      0.1536000    
 C   -5.447700       1.286000      0.5580000    
 C    3.167400     -0.1938000     -0.1368000    
 C    2.753000      -2.646200     -0.4182000    
 C  -9.2600003E-02  -2.773200       1.486000    
 C    3.725800       2.837000      -1.116700    
 C    5.444200     -4.0100001E-02  0.5328000    
 H   -1.230200       1.446400      -1.078400    
 H   -1.356800     -0.3313000       1.433900    
 H  -0.9806000       1.352400       1.541500    
 H   -1.460600     -0.7000000      -1.856900    
 H   -4.992200      -1.206800      0.2323000    
 H   -3.578900     -0.9475000       1.300700    
 H    1.038200       2.320900      0.6981000    
 H   -5.603700       1.108300       1.625900    
 H   -6.241800      0.8033000     -1.8400000E-02
 H   -5.472400       2.362300      0.3680000    
 H    3.090300      -3.141000      0.4981000    
 H    1.968500      -3.255200     -0.8796000    
 H    3.582100      -2.635000      -1.133700    
 H   0.6935000      -3.526500       1.592000    
 H   -1.061800      -3.279500       1.482100    
 H  -5.9300002E-02  -2.086900       2.338600    
 H    4.455500       3.640000     -0.9819000    
 H    2.771900       3.278200      -1.422600    
 H    4.092200       2.158100      -1.893200    
 H    5.844900      0.9545000      0.3183000    
 H    6.269100     -0.7562000      0.4725000    
 H    5.035600     -7.6099999E-02   1.548800    


%chk=000129007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129007

0 1
O 0.174699 -2.134198 0.614733
O -3.170633 2.108439 1.631583
O 3.495124 2.376937 -0.103127
O -3.609795 -2.461736 -1.285979
O 4.477165 -0.266814 -0.770631
N -2.251989 -0.927604 -0.165191
N -4.411921 0.805575 0.144878
C -1.960574 0.457089 0.257511
C -0.859167 0.477280 1.353073
C 0.550248 0.271913 0.814302
C -3.232522 1.190589 0.753950
C -4.453013 -0.190700 -0.946278
C -3.399254 -1.302905 -0.816145
C 1.055821 -1.013667 0.481571
C 1.395211 1.384953 0.593703
C 2.359383 -1.219717 -0.041458
C 2.692103 1.224081 0.068308
C -5.673920 1.483118 0.490277
C 3.184424 -0.078674 -0.224419
C 2.856665 -2.598609 -0.425909
C 0.372948 -2.953950 1.827644
C 3.842408 2.682602 -1.511457
C 5.590150 0.094468 0.139716
H -1.583743 1.048473 -0.608652
H -1.118998 -0.289926 2.105946
H -0.933721 1.458560 1.850991
H -1.490417 -1.617844 -0.028561
H -4.335178 0.298884 -1.937438
H -5.438211 -0.685979 -0.945594
H 1.052936 2.398558 0.826845
H -6.416429 0.751506 0.859553
H -6.094199 2.003542 -0.391379
H -5.460503 2.221305 1.278523
H 3.418457 -3.076007 0.400937
H 2.009158 -3.254139 -0.685744
H 3.546895 -2.530042 -1.281426
H 1.371255 -3.427559 1.818070
H -0.409220 -3.727685 1.796792
H 0.263766 -2.335891 2.739190
H 4.490665 3.570895 -1.466421
H 2.925544 2.914672 -2.085951
H 4.375286 1.835522 -1.979533
H 5.511138 1.150529 0.453800
H 6.509530 -0.068825 -0.442958
H 5.585829 -0.564522 1.028656


