%chk=000125368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125368

0 1
 O   9.9600002E-02  -1.993400      0.4852000    
 N    1.252900     -7.4000001E-02  7.6899998E-02
 N   -4.311400      0.8763000      0.8953000    
 N   -5.538200     -4.3600000E-02 -0.7111000    
 C   -1.213700      3.5799999E-02  0.1493000    
 C   -1.017200       1.470600      0.6434000    
 C   9.5899999E-02   2.140500     -0.1500000    
 C    1.319500       1.293100     -0.1331000    
 C   5.8499999E-02 -0.7889000      0.2836000    
 C   -2.358000     -0.6308000      0.9103000    
 C    2.635700       1.653200     -0.3035000    
 C    2.552500     -0.5852000      5.9300002E-02
 C    3.424300      0.4845000     -0.1826000    
 C   -3.698400     -0.2141000      0.3709000    
 C    3.138300       3.020000     -0.5617000    
 C    3.046700      -1.892500      0.2287000    
 C    4.812500      0.2462000     -0.2572000    
 C   -4.411500     -0.8106000     -0.6151000    
 C    4.427100      -2.104600      0.1516000    
 C    5.300200      -1.051100     -8.8299997E-02
 C   -4.182000      -1.988100      -1.466700    
 C   -5.433200      0.9568000      0.2149000    
 H   -1.443800      5.2200001E-02 -0.9259000    
 H  -0.7569000       1.469700       1.710500    
 H   -1.932600       2.061300      0.5327000    
 H   0.3033000       3.126400      0.2811000    
 H  -0.2208000       2.296500      -1.188400    
 H   -2.303800     -0.3975000       1.981500    
 H   -2.298500      -1.724400      0.8430000    
 H    3.351900       3.530200      0.3830000    
 H    4.057200       3.003000      -1.156500    
 H    2.406900       3.617700      -1.115500    
 H    2.391000      -2.735600      0.4155000    
 H    5.507800       1.060400     -0.4424000    
 H    4.820500      -3.109800      0.2809000    
 H    6.369300      -1.235900     -0.1447000    
 H   -6.310500     -0.1870000      -1.348300    
 H   -3.122400      -2.082600      -1.725600    
 H   -4.487800      -2.900900     -0.9457000    
 H   -4.746900      -1.924300      -2.402500    
 H   -6.202600       1.705100      0.3416000    


%chk=000125368-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125368

0 1
O 0.125173 -1.986266 0.077029
N 1.333768 0.002788 -0.028938
N -4.145753 1.111998 0.241432
N -5.751578 -0.121058 -0.746880
C -1.163309 0.119844 -0.022870
C -0.964182 1.519738 0.608640
C 0.189524 2.268607 -0.093042
C 1.444373 1.437886 -0.090537
C 0.124950 -0.722736 0.023385
C -2.345541 -0.666846 0.609126
C 2.783388 1.790591 -0.138762
C 2.650316 -0.547333 -0.041840
C 3.563496 0.554288 -0.110782
C -3.697844 -0.225447 0.115247
C 3.355901 3.180966 -0.208957
C 3.087111 -1.885597 0.001242
C 4.955954 0.304704 -0.137275
C -4.686811 -1.008424 -0.500537
C 4.483514 -2.111166 -0.027994
C 5.406909 -1.032878 -0.096285
C -4.745531 -2.462598 -0.871276
C -5.381232 1.137346 -0.287497
H -1.387896 0.264198 -1.103446
H -0.738875 1.402689 1.687595
H -1.913553 2.074686 0.527662
H 0.385479 3.238590 0.398656
H -0.115454 2.501532 -1.135563
H -2.286848 -0.551591 1.709921
H -2.197876 -1.740294 0.398257
H 4.080793 3.357564 0.608629
H 3.896844 3.346537 -1.160869
H 2.570093 3.952028 -0.135187
H 2.370395 -2.706234 0.055403
H 5.671325 1.133048 -0.190002
H 4.858102 -3.140390 0.003411
H 6.481750 -1.245664 -0.117145
H -6.637429 -0.369030 -1.185999
H -3.779358 -2.944829 -0.651287
H -5.524063 -3.007811 -0.303598
H -4.949520 -2.609895 -1.949232
H -6.025104 2.011060 -0.355437


