%chk=000016440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016440

1 1
 O    1.276300      0.2778000       1.836800    
 N   -3.750400      0.2094000     -5.1399998E-02
 C    2.068700      0.9872000     -0.2884000    
 C    1.841500       2.453900      0.1020000    
 C    3.510000      0.5575000      1.6799999E-02
 C    1.071600      7.7799998E-02  0.4273000    
 C    2.861000       3.377900     -0.5601000    
 C    4.526900       1.484800     -0.6450000    
 C    4.292300       2.942600     -0.2617000    
 C    1.245600      -1.417200      0.1543000    
 C   -2.789400       1.229400     -0.5392000    
 C  -0.3097000      0.4898000      8.3600000E-02
 C   -3.651900      5.1700000E-02   1.472300    
 C   -5.191600      0.6088000     -0.3975000    
 C   -3.467400      -1.156800     -0.6915000    
 C   -1.428900      0.8245000     -0.1970000    
 C    1.054200      -1.879900      -1.127700    
 C    1.587400      -2.243300       1.200600    
 C   -3.927000       1.386200       2.130100    
 C   -5.337700      0.6940000      -1.901000    
 C    1.212900      -3.243100      -1.376900    
 C    1.746400      -3.606500      0.9512000    
 C    1.559100      -4.106300     -0.3376000    
 H    1.923500      0.9080000      -1.376000    
 H    1.914700       2.584900       1.188800    
 H   0.8437000       2.796300     -0.1931000    
 H    3.701800     -0.4601000     -0.3409000    
 H    3.693100      0.5555000       1.098600    
 H    2.708700       4.405600     -0.2114000    
 H    2.699300       3.381900      -1.645200    
 H    4.461900       1.378900      -1.735000    
 H    5.540900       1.186600     -0.3556000    
 H    4.994300       3.584600     -0.8055000    
 H    4.498900       3.076300      0.8074000    
 H   -3.053700       2.222300     -0.1663000    
 H   -2.843500       1.273300      -1.631600    
 H   -4.396900     -0.6936000       1.775100    
 H   -2.661200     -0.3325000       1.736100    
 H   -5.869800     -0.1367000      3.1800002E-02
 H   -5.404800       1.593900      2.3300000E-02
 H   -3.272200      -1.031800      -1.760000    
 H   -2.586500      -1.597500     -0.2137000    
 H   -4.329100      -1.809300     -0.5195000    
 H   0.4561000      4.8300002E-02   2.307400    
 H   0.7877000      -1.220400      -1.947700    
 H    1.750800      -1.904400       2.217400    
 H   -3.848100       1.246700       3.215900    
 H   -3.197600       2.162200       1.888000    
 H   -4.936100       1.768600       1.966400    
 H   -6.381900      0.9415000      -2.129600    
 H   -4.744700       1.492300      -2.353900    
 H   -5.138200     -0.2457000      -2.420900    
 H    1.067900      -3.632300      -2.380500    
 H    2.017500      -4.279300       1.759700    
 H    1.683300      -5.167600     -0.5317000    


%chk=000016440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016440

1 1
O 1.285283 0.515632 2.014741
N -3.880917 0.192384 -0.212728
C 2.146449 0.994189 -0.213901
C 1.905704 2.517629 -0.055566
C 3.598372 0.626709 0.185676
C 1.091053 0.145216 0.595201
C 2.929937 3.333820 -0.880465
C 4.621691 1.448781 -0.636145
C 4.381420 2.969068 -0.493894
C 1.276939 -1.374831 0.374670
C -2.782491 1.270824 -0.490912
C -0.289805 0.528254 0.195029
C -3.828008 -0.267803 1.273179
C -5.279456 0.786857 -0.519378
C -3.606233 -1.032503 -1.079824
C -1.447733 0.829002 -0.111186
C 0.804702 -1.993454 -0.811126
C 1.961000 -2.157427 1.336382
C -4.012900 0.839176 2.316115
C -5.530581 1.180431 -1.979997
C 1.007790 -3.373656 -1.028978
C 2.155427 -3.541335 1.121417
C 1.678403 -4.154707 -0.058579
H 2.000226 0.721483 -1.281704
H 1.995157 2.780764 1.015575
H 0.877139 2.781688 -0.372177
H 3.779532 -0.452888 0.031596
H 3.733329 0.833453 1.264324
H 2.751656 4.415387 -0.727919
H 2.778822 3.133729 -1.961998
H 4.547142 1.165748 -1.706816
H 5.646365 1.188743 -0.309967
H 5.097612 3.529993 -1.123559
H 4.567600 3.274093 0.556007
H -3.091225 2.176397 0.060360
H -2.839230 1.492094 -1.570800
H -4.610341 -1.041602 1.367112
H -2.843007 -0.748188 1.393769
H -6.005777 0.021552 -0.193558
H -5.387920 1.664429 0.138445
H -3.585976 -0.740215 -2.139208
H -2.627455 -1.448538 -0.796843
H -4.399822 -1.776466 -0.909610
H 0.722968 -0.074446 2.581495
H 0.296340 -1.392119 -1.575462
H 2.365727 -1.681100 2.235333
H -3.940209 0.368560 3.312670
H -3.218949 1.602849 2.268834
H -4.998864 1.329826 2.269595
H -6.552490 1.595074 -2.038952
H -4.850730 1.969148 -2.343058
H -5.494811 0.324678 -2.673419
H 0.653190 -3.838927 -1.955373
H 2.690617 -4.135624 1.869680
H 1.837035 -5.225132 -0.226306


