%chk=000146508.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146508

0 1
 O    2.671200       1.888600     -6.6699997E-02
 O   -2.671700       1.890700     -6.0600001E-02
 O    3.193200      -3.021400     -0.4898000    
 O   -3.199100      -3.017100     -0.4994000    
 N    2.791300     -0.7129000     -0.2920000    
 N   -2.794300     -0.7100000     -0.2916000    
 N    5.816900      -2.593700      0.2372000    
 N   -5.823700      -2.592900      0.2260000    
 C   0.6973000      0.5821000     -0.1782000    
 C  -0.6992000      0.5827000     -0.1778000    
 C    1.394900     -0.6272000     -0.2842000    
 C   -1.398000     -0.6258000     -0.2839000    
 C   0.6986000       3.118300      4.4399999E-02
 C  -0.6979000       3.119000      4.5200001E-02
 C    1.447200       1.849900     -6.7400001E-02
 C   -1.447800       1.851200     -6.5700002E-02
 C   0.6945000      -1.829200     -0.3897000    
 C  -0.6990000      -1.828500     -0.3897000    
 C    1.397500       4.326900      0.1504000    
 C   -1.395500       4.328100      0.1520000    
 C    3.588000      -1.863800     -0.3932000    
 C   -3.592500      -1.860000     -0.3927000    
 C   0.6984000       5.529500      0.2569000    
 C  -0.6951000       5.530100      0.2575000    
 C    5.062900      -1.501800     -0.3617000    
 C   -5.067000      -1.496300     -0.3609000    
 C    5.361800      -2.847400       1.606200    
 C    7.251500      -2.298600      0.2278000    
 C   -7.251900      -2.270800      0.2703000    
 C   -5.332500      -2.899300       1.571400    
 H    1.131700      -2.810900     -0.4760000    
 H   -1.137100      -2.809900     -0.4749000    
 H    3.285100      0.1716000     -0.2233000    
 H   -3.287200      0.1749000     -0.2210000    
 H    2.483800       4.355800      0.1526000    
 H   -2.481700       4.358100      0.1552000    
 H    1.241100       6.466800      0.3392000    
 H   -1.236900       6.467900      0.3404000    
 H    5.221500     -0.5641000      0.1854000    
 H    5.370900      -1.344100      -1.402300    
 H   -5.376200      -1.324700      -1.398800    
 H   -5.221400     -0.5656000      0.1993000    
 H    4.332400      -3.213100       1.658500    
 H    5.443100      -1.954600       2.237700    
 H    5.971600      -3.635400       2.064500    
 H    7.821400      -3.144200      0.6288000    
 H    7.494700      -1.406800      0.8168000    
 H    7.604100      -2.141600     -0.7978000    
 H   -7.460200      -1.397200      0.8987000    
 H   -7.630800      -2.069200     -0.7379000    
 H   -7.826500      -3.119900      0.6568000    
 H   -4.320100      -3.311800       1.584800    
 H   -5.959700      -3.672500       2.031900    
 H   -5.357200      -2.020600       2.227100    


%chk=000146508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000146508

0 1
O 2.764134 1.825356 0.033687
O -2.761657 1.823808 0.040447
O 3.383770 -3.040525 0.126831
O -3.378628 -3.042449 0.133955
N 2.838299 -0.741908 0.077250
N -2.834222 -0.743542 0.083806
N 6.189862 -2.407811 0.079377
N -6.185014 -2.410942 0.091471
C 0.725422 0.500453 0.055343
C -0.722132 0.500027 0.057098
C 1.437700 -0.751342 0.080540
C -1.433607 -0.752202 0.083898
C 0.711914 3.052532 -0.006471
C -0.710250 3.052122 -0.004686
C 1.467768 1.778132 0.027720
C -1.465281 1.777294 0.031519
C 0.697907 -1.976927 0.103577
C -0.693015 -1.977346 0.105198
C 1.416044 4.283232 -0.040163
C -1.415177 4.282413 -0.036610
C 3.730523 -1.828694 0.081797
C -3.725951 -1.830737 0.090037
C 0.710054 5.500491 -0.072509
C -0.709978 5.500081 -0.070719
C 5.194074 -1.340399 0.027917
C -5.189784 -1.343074 0.038683
C 6.219431 -3.150790 1.354756
C 7.523840 -1.959517 -0.360828
C -7.519948 -1.962981 -0.346196
C -6.212017 -3.154397 1.366642
H 1.254100 -2.915931 0.117926
H -1.248599 -2.916686 0.120815
H 3.221575 0.236776 0.060936
H -3.217996 0.234959 0.068229
H 2.509475 4.253072 -0.040115
H -2.508587 4.251619 -0.033797
H 1.255975 6.449480 -0.099104
H -1.256513 6.448755 -0.095925
H 5.319384 -0.577027 0.845678
H 5.319252 -0.787535 -0.924508
H -5.316774 -0.790006 -0.913386
H -5.314105 -0.579987 0.856864
H 5.227760 -3.588559 1.547663
H 6.513764 -2.510611 2.225618
H 6.946984 -3.977291 1.275445
H 8.201051 -2.830250 -0.412244
H 7.991762 -1.202705 0.319534
H 7.460396 -1.518959 -1.372318
H -7.986909 -1.206560 0.335257
H -7.458460 -1.522059 -1.357647
H -8.196949 -2.833927 -0.396712
H -5.219866 -3.591954 1.557570
H -6.939484 -3.981073 1.288384
H -6.504915 -2.514600 2.238269


