%chk=000086076.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086076

0 1
 O    1.305600      0.5601000     -0.3577000    
 O   -1.973900      0.1267000      0.6840000    
 O    3.246000     -0.4367000      0.3908000    
 O   -1.893900      -1.818100     -0.5537000    
 N    2.467000      -2.705800     -0.9678000    
 C    1.828200       1.844400     -4.3000001E-03
 C    1.426300      -1.788100     -0.4975000    
 C   0.6688000      -2.402700      0.6885000    
 C   -3.059900      0.5962000     -0.1210000    
 C  -0.3778000      -1.475200       1.312200    
 C    2.127400     -0.5014000     -0.1032000    
 C    3.114700       2.080000     -0.7944000    
 C   0.7740000       2.886800     -0.3706000    
 C    2.101300       1.861700       1.499100    
 C   -1.485900      -1.104700      0.3529000    
 C   -4.220200     -0.3900000      4.8000002E-03
 C   -3.463600       1.971000      0.4074000    
 C   -2.584100      0.6958000      -1.569700    
 H   0.7509000      -1.588900      -1.336900    
 H    1.381400      -2.678100       1.477600    
 H   0.1836000      -3.332800      0.3652000    
 H  -0.8474000      -1.980500       2.164100    
 H   9.8399997E-02 -0.5704000       1.699400    
 H    3.986600       1.543600     -0.4118000    
 H    2.990000       1.788900      -1.843900    
 H    3.388800       3.141600     -0.7711000    
 H  -0.1610000       2.695400      0.1669000    
 H   0.5341000       2.838900      -1.438900    
 H    1.105900       3.903000     -0.1346000    
 H    2.972800       1.283700       1.814600    
 H    2.286600       2.887700       1.839200    
 H    1.241200       1.478100       2.058900    
 H   -4.378400     -0.6788000       1.050500    
 H   -5.148900      6.3699998E-02 -0.3616000    
 H   -4.097600      -1.311800     -0.5693000    
 H   -2.622300       2.670900      0.3582000    
 H   -3.754700       1.911000       1.462400    
 H   -4.299000       2.395800     -0.1586000    
 H   -2.503700     -0.2632000      -2.087500    
 H   -3.285200       1.295200      -2.162500    
 H   -1.600300       1.174900      -1.627900    
 H    2.042100      -3.591200      -1.240900    
 H    2.900900      -2.328000      -1.809600    


%chk=000086076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086076

0 1
O 1.549978 0.488981 -0.440825
O -2.151003 0.059993 0.684983
O 3.357824 -0.659427 0.527063
O -1.772057 -1.759269 -0.749159
N 2.397035 -2.998285 -0.921628
C 2.072563 1.896065 -0.121929
C 1.484967 -1.930910 -0.478724
C 0.640003 -2.446104 0.721440
C -3.350982 0.604232 -0.094799
C -0.391579 -1.444222 1.277076
C 2.251183 -0.652102 -0.069294
C 3.405699 2.112226 -0.864150
C 0.951936 2.785521 -0.685742
C 2.209089 2.059625 1.404998
C -1.488680 -1.094317 0.276366
C -4.483090 -0.442042 -0.070548
C -3.718966 1.855754 0.720071
C -2.912784 0.970357 -1.527169
H 0.795160 -1.680452 -1.301450
H 1.327095 -2.744674 1.537334
H 0.128460 -3.355342 0.361874
H -0.889517 -1.886124 2.163380
H 0.074414 -0.506634 1.626540
H 4.189617 1.446759 -0.469914
H 3.281552 1.922316 -1.945061
H 3.732752 3.160311 -0.734612
H -0.003908 2.565675 -0.178573
H 0.823766 2.609802 -1.767869
H 1.200826 3.850337 -0.527653
H 2.992552 1.399411 1.808491
H 2.476192 3.107332 1.635694
H 1.250405 1.834441 1.905904
H -4.729765 -0.721037 0.969371
H -5.389568 -0.012927 -0.535559
H -4.197092 -1.347534 -0.628279
H -2.877496 2.570335 0.735802
H -3.964615 1.584199 1.761117
H -4.595548 2.354304 0.268920
H -2.654023 0.070240 -2.105523
H -3.740078 1.497251 -2.037572
H -2.037788 1.643807 -1.503638
H 2.758637 -2.861974 -1.871743
H 3.161633 -3.157199 -0.253309


