%chk=000170776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170776

0 1
 O    1.928200      0.7859000      -1.520600    
 O    1.351000      -2.270600      0.2639000    
 O  -0.6296000       3.428300       1.293200    
 O   -1.809200       4.201200     -0.4846000    
 N    3.156400     -0.8232000      0.2259000    
 N   0.4696000       1.520500      0.1383000    
 N    2.640300      -4.372500     -0.4098000    
 N   -4.234700     -0.9072000      0.5985000    
 N   -5.579000      -2.199600     -0.9157000    
 N   -5.939000      -2.295700       1.332900    
 C    2.453500      0.3342000      0.7639000    
 C    3.557500       1.303900       1.169500    
 C    4.692500      0.9735000      0.2033000    
 C    4.574100     -0.5328000      2.6799999E-02
 C    1.604200      0.8880000     -0.3402000    
 C    2.552600      -2.063200      8.7499999E-02
 C  -0.5021000       2.157700     -0.7209000    
 C   -1.607600       1.197400      -1.167900    
 C    3.468900      -3.190400     -0.3167000    
 C   -2.431100      0.6066000     -1.7200001E-02
 C   -1.050300       3.373300      2.4999999E-03
 C   -3.481400     -0.3698000     -0.5358000    
 C   -5.184700      -1.745700      0.3232000    
 H    1.833300      2.8100001E-02   1.613500    
 H    3.262600       2.356200       1.116600    
 H    3.882000       1.088800       2.195000    
 H    5.673500       1.275800      0.5803000    
 H    4.527700       1.480300     -0.7549000    
 H    5.140200      -1.068100      0.7966000    
 H    4.905600     -0.8686000     -0.9595000    
 H   3.1199999E-02   2.531100      -1.603600    
 H   0.2979000       1.530800       1.139900    
 H   -1.155300      0.3764000      -1.739000    
 H   -2.284200       1.724400      -1.852600    
 H    4.253900      -3.328600      0.4319000    
 H    3.916300      -2.972700      -1.290300    
 H   -2.926200       1.407700      0.5445000    
 H   -1.774200      8.5500002E-02  0.6898000    
 H   -2.983400      -1.182000      -1.079300    
 H   -4.152900      0.1566000      -1.224900    
 H    3.211900      -5.166100     -0.6967000    
 H    2.271000      -4.611700      0.5101000    
 H  -0.9989000       4.204900       1.765200    
 H   -6.341900      -2.861200      -1.011200    
 H   -5.128300      -1.896600      -1.771600    
 H   -6.685900      -2.953600       1.138800    
 H   -5.767400      -2.057800       2.303800    


%chk=000170776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170776

0 1
O 1.983446 2.343000 -1.284483
O 1.049545 -0.389558 2.210929
O -0.674650 2.964956 2.660299
O -2.077097 4.211255 1.293575
N 2.337126 -0.647597 0.303667
N 0.780588 1.982888 0.682371
N -0.421574 -2.774720 1.587552
N -2.217673 -1.696297 -0.358219
N -3.936085 -2.792810 -1.669071
N -2.662675 -3.974582 -0.070806
C 2.887439 0.745057 0.394953
C 4.156792 0.682641 -0.476373
C 3.793940 -0.350740 -1.574272
C 2.928002 -1.404236 -0.838964
C 1.850198 1.771687 -0.154131
C 1.463908 -1.134134 1.249764
C -0.364512 2.790296 0.247123
C -1.353253 1.971003 -0.654245
C 0.963995 -2.595182 1.116931
C -1.875311 0.699678 0.046496
C -1.124429 3.410536 1.413387
C -2.489308 -0.356038 -0.908308
C -2.919704 -2.758976 -0.704608
H 3.086333 0.971000 1.458296
H 4.393238 1.668159 -0.906145
H 5.011350 0.333594 0.131508
H 4.680750 -0.807577 -2.044240
H 3.200926 0.153007 -2.355944
H 3.542075 -2.244756 -0.460992
H 2.138425 -1.817307 -1.492051
H 0.023085 3.622253 -0.371890
H 0.723928 1.416673 1.548058
H -0.783148 1.694261 -1.561679
H -2.175610 2.642157 -0.964862
H 1.650604 -3.247443 1.693409
H 1.019799 -2.920729 0.063141
H -2.605038 0.958079 0.838144
H -1.031182 0.198718 0.551143
H -2.009902 -0.249610 -1.909073
H -3.577772 -0.150022 -1.053297
H -0.504980 -2.519023 2.581697
H -1.070974 -2.188569 0.995408
H -1.225933 3.376738 3.379547
H -4.629466 -3.537360 -1.667390
H -4.136598 -1.957121 -2.210632
H -2.891284 -4.847607 -0.541368
H -1.898730 -3.966238 0.628048


