%chk=000171466.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171466

0 1
 O    2.724000       1.792200      0.5169000    
 O   -1.351100       1.328400       1.875800    
 O    1.184400       1.618800      -1.178500    
 O   -4.627500     -0.6673000     -0.8867000    
 O   -6.028700      0.9974000     -0.2707000    
 N   0.9812000      0.3980000      0.7843000    
 N   -2.461800      0.5174000      4.1999999E-03
 C  -0.2383000     -0.3032000      0.4706000    
 C  -0.3284000      -1.656500       1.185200    
 C    3.461200       2.744600     -0.2580000    
 C   -1.396000      0.5956000      0.8899000    
 C   0.4866000      -2.730300      0.5066000    
 C    4.673100       3.170300      0.5680000    
 C    3.905100       2.074900      -1.557700    
 C    2.557200       3.942900     -0.5436000    
 C   -3.666600       1.303900      0.1408000    
 C    1.590300       1.299800     -6.5800004E-02
 C  -9.1100000E-02  -3.521300     -0.4865000    
 C    1.817600      -2.931500      0.8721000    
 C   -3.527200       2.628000     -0.5950000    
 C   0.6620000      -4.513600      -1.114000    
 C    2.570800      -3.923800      0.2444000    
 C   -4.889800      0.5501000     -0.3538000    
 C    1.992900      -4.714800     -0.7486000    
 H  -0.2743000     -0.4407000     -0.6177000    
 H   -1.373800      -1.991800       1.225800    
 H  -1.7899999E-02  -1.565400       2.235000    
 H    1.396700      0.2627000       1.701300    
 H    5.297600       2.304300      0.8160000    
 H    4.358100       3.608100       1.522200    
 H    5.291100       3.902700      3.8500000E-02
 H    4.314900       1.076800      -1.363800    
 H    3.114400       1.958000      -2.302800    
 H    4.686400       2.669200      -2.046500    
 H    2.010100       4.245600      0.3569000    
 H    1.817100       3.777600      -1.330400    
 H    3.153800       4.800400     -0.8773000    
 H   -2.398800     -0.1121000     -0.7909000    
 H   -3.822400       1.491600       1.209800    
 H   -1.126400      -3.372200     -0.7819000    
 H    2.279600      -2.322200       1.644300    
 H   -3.379500       2.468400      -1.669300    
 H   -4.423800       3.244900     -0.4723000    
 H   -2.669200       3.197900     -0.2225000    
 H   0.2124000      -5.128900      -1.887800    
 H    3.607200      -4.080500      0.5288000    
 H    2.579400      -5.487200      -1.237500    
 H   -5.444200      -1.119800      -1.187500    


%chk=000171466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171466

0 1
O 2.159116 1.443522 -0.036752
O -2.561758 -0.486673 1.832087
O 0.244172 1.140825 -1.411076
O -3.316621 1.923831 -2.256925
O -5.236624 2.687660 -1.197080
N 0.582538 -0.071530 0.555333
N -2.299556 0.773829 -0.110477
C -0.597501 -0.940587 0.371870
C -0.445824 -2.241478 1.195590
C 2.766567 2.549839 -0.895764
C -1.909368 -0.201410 0.777984
C 0.807030 -3.032182 0.848032
C 4.058154 2.871295 -0.124998
C 3.066721 1.993960 -2.301803
C 1.808189 3.757177 -0.925255
C -3.501167 1.574937 0.148189
C 0.942747 0.864697 -0.385795
C 0.951614 -3.643928 -0.425012
C 1.857986 -3.177457 1.788806
C -3.231812 2.760152 1.120585
C 2.114691 -4.374683 -0.750133
C 3.026367 -3.907463 1.468001
C -4.132149 2.107827 -1.133779
C 3.159110 -4.507612 0.195750
H -0.661911 -1.176085 -0.708464
H -1.353951 -2.844967 1.015890
H -0.468430 -1.981830 2.269434
H 1.221092 -0.246956 1.333054
H 4.702957 1.978181 -0.058851
H 3.826303 3.211625 0.898905
H 4.615159 3.671022 -0.644826
H 3.705173 1.095568 -2.232400
H 2.135497 1.733649 -2.828894
H 3.607919 2.757507 -2.890103
H 1.568788 4.084924 0.102133
H 0.874231 3.506863 -1.452348
H 2.296328 4.598928 -1.449632
H -1.683610 1.001405 -0.908915
H -4.245186 0.914677 0.633667
H 0.145124 -3.553614 -1.164075
H 1.754075 -2.730290 2.786083
H -2.475762 3.447040 0.701011
H -4.163686 3.320200 1.306840
H -2.858908 2.353311 2.074657
H 2.206801 -4.843485 -1.736455
H 3.826143 -4.011029 2.210050
H 4.061379 -5.076432 -0.055098
H -3.759748 2.312638 -3.058739


