%chk=000171230.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171230

0 1
 O   0.9617000      -1.094400     -0.9040000    
 O   0.9634000      -4.147000     -0.6729000    
 O    4.473800     -0.4941000      -2.283000    
 O    5.230000       2.993400      0.6177000    
 O   -2.921900      -2.401100      0.2784000    
 O   -4.720600      -1.076800      0.7952000    
 O   -4.100700       3.121200     -0.8127000    
 O   -5.226000       1.155400     -0.4593000    
 N    3.111400     -0.3233000     -0.3949000    
 N   -1.303000     -4.1400000E-02  0.5648000    
 N    4.840400       1.240100     -0.8276000    
 N  -0.7497000       1.149900      0.3287000    
 N   -1.730500       1.953300     -6.8499997E-02
 C   9.8399997E-02  -1.957400     -0.1387000    
 C   0.9612000      -3.124400      0.3208000    
 C    2.338800      -2.511700      0.4239000    
 C    2.326600      -1.484600     -0.6965000    
 C  -0.4671000      -1.146100       1.019800    
 C    2.819000      0.3920000      0.7592000    
 C    4.159300      9.1200002E-02  -1.244600    
 C   -2.634100     -5.5100001E-02  0.3354000    
 C    3.472800       1.491000       1.155400    
 C    4.590500       1.990700      0.3112000    
 C   -2.891000       1.230500     -6.9899999E-02
 C    3.141600       2.246400       2.402200    
 C   -3.513400      -1.167800      0.4918000    
 C   -4.152600       1.788400     -0.4480000    
 C   -3.748300      -3.562000      0.4195000    
 C   -5.329900       3.743500      -1.203400    
 H  -0.6919000      -2.290300     -0.8183000    
 H   0.6141000      -3.575000       1.255400    
 H    3.151100      -3.232700      0.2823000    
 H    2.465800      -2.079700       1.421000    
 H    2.665400      -1.948500      -1.629600    
 H   0.2888000     -0.7153000       1.672700    
 H   -1.076100      -1.774500       1.678600    
 H    1.565800      -4.847100     -0.3684000    
 H    2.020300      2.7100001E-02   1.377400    
 H    5.599300       1.557700      -1.424300    
 H    4.002900       2.266000       3.077800    
 H    2.303700       1.795100       2.944200    
 H    2.864000       3.277900       2.161900    
 H   -3.132800      -4.443100      0.2201000    
 H   -4.136100      -3.625900       1.440300    
 H   -4.567200      -3.531400     -0.3052000    
 H   -6.043400       3.720800     -0.3746000    
 H   -5.118200       4.785200      -1.458100    
 H   -5.742600       3.241800      -2.083600    


%chk=000171230-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171230

0 1
O 0.910738 -1.183254 -0.583714
O 1.052625 -4.324795 -0.570190
O 5.006746 -1.440024 -1.117584
O 5.504337 2.996254 0.296101
O -3.049629 -2.537423 -0.015918
O -4.898851 -1.143963 0.299839
O -4.124597 3.123173 0.305833
O -4.592867 1.485727 -1.291548
N 3.124253 -0.308216 -0.280083
N -1.381868 -0.403509 0.979158
N 5.198039 0.795257 -0.418302
N -0.761936 0.847847 1.155943
N -1.635605 1.787967 0.745398
C 0.106472 -2.222191 0.104076
C 1.094511 -3.337879 0.517355
C 2.447921 -2.600663 0.600244
C 2.332967 -1.542978 -0.522905
C -0.611853 -1.605515 1.327372
C 2.563499 0.845580 0.281633
C 4.486346 -0.385961 -0.644849
C -2.656180 -0.240315 0.461807
C 3.290482 1.992492 0.508777
C 4.715086 2.017973 0.148033
C -2.805003 1.158226 0.321549
C 2.680056 3.240972 1.096951
C -3.662495 -1.304728 0.247694
C -3.927516 1.898066 -0.314200
C -3.983782 -3.663748 -0.283229
C -5.178810 3.974665 -0.300433
H -0.629924 -2.608745 -0.617822
H 0.815747 -3.811038 1.481375
H 3.318845 -3.258299 0.447653
H 2.556030 -2.098804 1.579475
H 2.663062 -1.953708 -1.492335
H 0.118613 -1.284875 2.089120
H -1.293815 -2.355908 1.758864
H 1.791947 -4.974428 -0.456958
H 1.495468 0.785101 0.506226
H 6.189362 0.774646 -0.678143
H 3.203653 3.533744 2.025241
H 1.609421 3.095853 1.317949
H 2.785721 4.091769 0.399399
H -3.331691 -4.520072 -0.502560
H -4.614341 -3.852138 0.601499
H -4.625515 -3.417475 -1.144533
H -6.147418 3.447679 -0.285228
H -5.201811 4.875050 0.327869
H -4.913440 4.220513 -1.342296


