%chk=000164125.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000164125

0 1
 O   -1.010100      -2.826200     -7.0400000E-02
 O   -3.187000       3.087100     -0.9266000    
 O   -2.656400      -3.160600      -1.663400    
 O   -1.317600       2.897400      0.4258000    
 O    6.920100      6.5499999E-02   1.357900    
 O    6.206800      0.3230000     -0.7972000    
 N   -4.155500     -0.3728000       1.561800    
 N    2.324700     -6.8800002E-02   1.076000    
 N    3.237900      0.2286000     -0.9282000    
 N    4.696100      3.2299999E-02  0.9800000    
 C   -2.391600     -2.1199999E-02 -0.6250000    
 C   -2.803200      -1.395700     -8.8200003E-02
 C   -2.894500       1.137100      0.2457000    
 C  -0.8974000      5.0200000E-02 -0.7586000    
 C   -3.670900      -1.513200      0.9419000    
 C   -3.750600      0.9209000       1.270400    
 C  -0.1097000     -7.0100002E-02  0.3862000    
 C  -0.3367000      0.2370000      -2.020000    
 C    1.271200      6.3000000E-03  0.2014000    
 C    1.867100      0.1921000      -1.042900    
 C   -2.171000      -2.565800     -0.7187000    
 C   -2.351100       2.471300     -5.5900000E-02
 C   -4.180700      -2.810000       1.509900    
 C   -4.336900       1.983900       2.159600    
 C    1.052400      0.3107000      -2.181600    
 C    3.477300      6.9399998E-02  0.3541000    
 C  -0.2727000      -3.945600     -0.5721000    
 C   -2.790500       4.404900      -1.319800    
 C    5.954800      0.1571000      0.3897000    
 C    8.275800      0.1755000      0.9083000    
 H   -2.864000      9.1100000E-02  -1.611400    
 H   -4.803000     -0.4979000       2.331900    
 H  -0.5295000     -0.2133000       1.375900    
 H  -0.9679000      0.3292000      -2.900600    
 H   -5.273500      -2.847800       1.444200    
 H   -3.790500      -3.687500      0.9866000    
 H   -3.894800      -2.899300       2.563400    
 H   -4.049900       1.805400       3.201400    
 H   -5.430200       1.970000       2.095300    
 H   -4.005300       2.991900       1.894500    
 H    1.484700      0.4562000      -3.166300    
 H    2.260700     -0.2028000       2.076300    
 H    4.679500     -0.1010000       1.987900    
 H   0.6354000      -4.049800      2.7600000E-02
 H  -0.8636000      -4.861600     -0.4781000    
 H   1.3200000E-02  -3.773800      -1.614300    
 H   -1.820200       4.373400      -1.824900    
 H   -3.537700       4.790500      -2.018500    
 H   -2.751500       5.064500     -0.4476000    
 H    8.442200       1.151900      0.4435000    
 H    8.930400      8.5100003E-02   1.779200    
 H    8.508800     -0.6324000      0.2083000    


%chk=000164125-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000164125

0 1
O -3.054469 -3.650251 -0.993013
O -2.673443 2.646786 -1.202520
O -2.865162 -1.919970 -2.538332
O -3.041222 3.393560 0.974719
O 7.022885 0.850251 1.320654
O 4.884584 0.850399 2.311222
N -2.620698 -0.768019 2.113113
N 2.814467 0.488643 0.519605
N 3.487218 0.229995 -1.661623
N 5.206498 0.557970 -0.003088
C -2.188193 0.034016 -0.572458
C -2.587934 -1.405192 -0.191053
C -2.596882 1.020454 0.523163
C -0.676825 0.105024 -0.890599
C -2.682204 -1.778056 1.138827
C -2.715775 0.604312 1.837561
C 0.275488 0.295545 0.139096
C -0.245806 -0.053581 -2.244839
C 1.633224 0.317522 -0.226652
C 2.073415 0.157269 -1.585976
C -2.833028 -2.296643 -1.333470
C -2.792894 2.438105 0.182963
C -2.893385 -3.167188 1.705050
C -2.985526 1.477933 3.043046
C 1.115316 -0.030101 -2.606671
C 3.866041 0.426225 -0.389771
C -3.299104 -4.543831 -2.147832
C -2.847518 4.044048 -1.648620
C 5.631808 0.760163 1.296142
C 7.612696 1.068913 2.660377
H -2.720688 0.291151 -1.502510
H -2.677075 -1.055022 3.090939
H -0.043673 0.435872 1.176734
H -1.010553 -0.208021 -3.012690
H -3.882114 -3.565012 1.420590
H -2.150957 -3.873759 1.303757
H -2.821387 -3.157971 2.808890
H -2.922669 0.892026 3.979561
H -3.986992 1.937596 2.979443
H -2.278525 2.321250 3.091487
H 1.431936 -0.148517 -3.647129
H 2.951759 0.638083 1.522629
H 5.898260 0.500266 -0.753174
H -3.428002 -5.543033 -1.706564
H -4.205049 -4.230495 -2.693832
H -2.440214 -4.522159 -2.839686
H -2.086698 4.693534 -1.183267
H -2.720773 4.006339 -2.739882
H -3.850435 4.415198 -1.375989
H 7.365001 0.227752 3.329090
H 8.694936 1.125033 2.479978
H 7.233741 2.007887 3.097003


