%chk=000164258.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164258

0 1
 O   -2.218000       1.220900      0.8010000    
 O   -1.292400       1.167600       2.922200    
 O   -4.518800      0.3767000     -0.5241000    
 O   -6.059600       1.439100      -1.705600    
 O   -5.494700     -0.6303000      -2.313800    
 N    3.894200      0.3149000     -0.8379000    
 N   0.5485000     -0.4164000      0.6455000    
 N   -5.433500      0.3825000      -1.613200    
 C    2.045600       1.953200     -0.1014000    
 C    2.792200      0.6002000      0.1159000    
 C    1.743500       2.182800      -1.600000    
 C    1.834700     -0.5470000      0.1818000    
 C    3.516700      0.5164000      -2.241400    
 C    2.960500       1.917300      -2.480900    
 C    2.926200       3.101500      0.4377000    
 C    4.450400      -1.046000     -0.6131000    
 C    2.117100      -1.843200     -0.1479000    
 C   0.7123000       1.968400      0.6579000    
 C    3.434900      -2.216200     -0.7322000    
 C   3.7200000E-02  0.8452000      0.9868000    
 C   0.9562000      -2.595600      0.1478000    
 C  -1.7700000E-02  -1.697000      0.6347000    
 C    3.215900       2.910000       1.907500    
 C   -1.216200       1.094400       1.706800    
 C   0.6379000      -3.964800      2.5000000E-02
 C   -1.307600      -2.156600      0.9580000    
 C  -0.6359000      -4.414400      0.3749000    
 C   -1.595100      -3.519800      0.8295000    
 C   -3.514500       1.470100       1.353800    
 C   -4.520100       1.586100      0.2246000    
 H    3.252900      0.5893000       1.109400    
 H    1.388100       3.207300      -1.770500    
 H   0.9309000       1.520300      -1.929100    
 H    4.401200      0.3877000      -2.877000    
 H    2.775400     -0.2204000      -2.573900    
 H    3.738200       2.668400      -2.301400    
 H    2.671700       2.016500      -3.534000    
 H    2.415400       4.063200      0.2968000    
 H    3.876500       3.173300     -0.1026000    
 H    4.883300      -1.063600      0.3966000    
 H    5.294300      -1.224600      -1.291000    
 H   0.2902000       2.944500      0.8927000    
 H    3.293300      -2.471300      -1.789200    
 H    3.839000      -3.101900     -0.2294000    
 H    3.592000       3.855600       2.317200    
 H    4.013400       2.183200       2.087100    
 H    2.345200       2.638300       2.509600    
 H    1.375700      -4.671400     -0.3457000    
 H   -2.077500      -1.481400       1.314400    
 H  -0.8798000      -5.468800      0.2803000    
 H   -2.587000      -3.881400       1.088700    
 H   -3.495600       2.397000       1.937600    
 H   -3.783000      0.6289000       2.003600    
 H   -5.511700       1.775200      0.6528000    
 H   -4.220200       2.418000     -0.4250000    


%chk=000164258-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164258

0 1
O -2.091758 1.998025 1.137480
O -1.849416 -0.055786 2.239712
O -4.497873 0.492416 0.409132
O -6.180331 1.069823 -1.175145
O -5.446321 -1.097506 -0.978997
N 3.979357 0.302722 -0.592609
N 0.456900 -0.531928 0.425892
N -5.477293 0.125600 -0.698120
C 2.015827 1.900700 -0.126982
C 2.764870 0.574302 0.244155
C 1.827345 1.981434 -1.685296
C 1.843951 -0.617351 0.174576
C 3.746683 0.396643 -2.060409
C 3.155453 1.765137 -2.439873
C 2.809657 3.148433 0.373991
C 4.559356 -1.019523 -0.207032
C 2.202282 -1.906614 -0.171784
C 0.625540 1.878790 0.493368
C 3.633899 -2.254749 -0.504036
C -0.103599 0.736275 0.720380
C 0.977272 -2.690934 -0.189008
C -0.112076 -1.814955 0.177337
C 2.956677 3.276069 1.906417
C -1.404820 0.796243 1.440763
C 0.707980 -4.043694 -0.511529
C -1.448381 -2.267330 0.192543
C -0.625394 -4.500021 -0.486580
C -1.687681 -3.617578 -0.144778
C -3.423437 2.155886 1.761319
C -4.508870 1.950131 0.706402
H 3.131818 0.686276 1.285427
H 1.379243 2.960542 -1.940527
H 1.105416 1.203267 -2.002726
H 4.723919 0.244082 -2.556725
H 3.053997 -0.397663 -2.431776
H 3.880282 2.565978 -2.205566
H 2.973002 1.793656 -3.531081
H 2.298541 4.052382 -0.016835
H 3.817465 3.127018 -0.078144
H 4.769812 -0.982137 0.878970
H 5.525855 -1.140772 -0.730575
H 0.164023 2.833903 0.761159
H 3.719802 -2.558455 -1.567851
H 3.989351 -3.118585 0.092075
H 3.447149 4.232196 2.165418
H 3.578723 2.466968 2.329669
H 1.977063 3.249730 2.418479
H 1.525072 -4.720472 -0.785996
H -2.283232 -1.619058 0.464201
H -0.851251 -5.542488 -0.737422
H -2.718402 -3.988737 -0.138963
H -3.469014 3.194356 2.130426
H -3.533074 1.442761 2.596883
H -5.498941 2.245549 1.100820
H -4.290619 2.520941 -0.212727


