%chk=000178760.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178760

0 1
 O    2.703700       1.274600      -1.182400    
 O  -0.8764000     -0.5558000     -0.6417000    
 O    1.244900       3.852800     -0.5406000    
 O    5.423300       1.583800     -0.5841000    
 O   -3.179000       1.132700       3.092500    
 O    1.208100      -4.416200      0.6727000    
 N   -3.948100     -5.4000001E-02  -1.010700    
 N    1.415300     -0.4872000     -0.2496000    
 N   0.1270000      -2.502100      1.2400000E-02
 C    1.447600      0.9128000     -0.5856000    
 C    1.284700       1.776200      0.6559000    
 C    2.056600       3.020700      0.2849000    
 C    3.201500       2.471900     -0.5537000    
 C   -2.064400      -1.057000     -5.1899999E-02
 C   -2.768100      -2.058800      -1.003100    
 C   -3.032900      5.4800000E-02 -5.7000001E-03
 C   -3.740400      -1.215100      -1.853600    
 C   -3.338100       1.175600      0.7199000    
 C    4.419100       2.092200      0.2786000    
 C   0.2386000      -1.239800     -0.2758000    
 C   -4.848600      0.9479000     -0.9793000    
 C   -4.493900       1.744900      9.8499998E-02
 C    2.553100      -1.189400      0.1242000    
 C   -2.625500       1.693600       1.901200    
 C    2.560300      -2.490500      0.4432000    
 C    1.248300      -3.221800      0.3882000    
 C    3.783400      -3.246900      0.8456000    
 H   0.6840000       1.166100      -1.330700    
 H    1.734800       1.304200       1.537100    
 H   0.2327000       1.970600      0.8676000    
 H    2.384500       3.612000       1.144400    
 H    3.494400       3.155700      -1.358300    
 H   -1.904900      -1.473800      0.9503000    
 H   -3.354200      -2.769400     -0.4058000    
 H   -2.082000      -2.629600      -1.635900    
 H   -3.284800     -0.8708000      -2.786600    
 H   -4.694600      -1.715300      -2.034300    
 H    4.198000       1.330200       1.030800    
 H    4.826000       2.969700      0.7905000    
 H   -5.653900       1.030300      -1.695800    
 H   -5.015400       2.641300      0.4057000    
 H    3.467600     -0.6139000      0.1476000    
 H   0.4866000       4.142400     -4.9999999E-03
 H   -1.571600       1.411700       1.879500    
 H   -2.683900       2.784700       1.967600    
 H    5.048800      0.8178000      -1.051600    
 H    3.664800      -3.657800       1.853400    
 H    4.674000      -2.609500      0.8486000    
 H    3.967900      -4.073400      0.1518000    
 H   -4.094000       1.453600       3.169100    


%chk=000178760-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178760

0 1
O 2.515085 1.166309 -1.156079
O -0.911846 -0.335608 -0.068748
O 1.535672 4.024590 -0.147256
O 5.177593 1.411569 -1.954372
O -3.503481 0.248671 3.110426
O 1.054157 -4.449753 1.111363
N -3.907951 0.108604 -1.253960
N 1.390034 -0.453708 0.203940
N 0.037099 -2.419525 0.511134
C 1.479667 0.982093 -0.110613
C 1.944634 1.875472 1.061872
C 2.564133 3.090597 0.337958
C 3.205153 2.476859 -0.926233
C -2.286466 -1.005377 0.053649
C -2.597873 -1.853046 -1.214653
C -3.307239 0.076892 0.007284
C -3.365959 -0.903551 -2.184894
C -3.887479 1.089762 0.795368
C 4.705574 2.174844 -0.802230
C 0.170428 -1.143031 0.224624
C -4.857453 1.113848 -1.306584
C -4.867135 1.736667 -0.041441
C 2.546631 -1.196756 0.500680
C -3.543860 1.431909 2.220624
C 2.495321 -2.532794 0.814998
C 1.174217 -3.220029 0.834392
C 3.723058 -3.350564 1.124283
H 0.499611 1.297287 -0.498980
H 2.711482 1.350899 1.660781
H 1.109961 2.150422 1.727973
H 3.307213 3.619721 0.968511
H 2.999727 3.116885 -1.801369
H -2.244512 -1.602772 0.975509
H -3.245539 -2.695386 -0.914408
H -1.683899 -2.279054 -1.653581
H -2.690911 -0.425506 -2.918389
H -4.175057 -1.418458 -2.730384
H 4.906660 1.627609 0.147257
H 5.288737 3.111744 -0.801783
H -5.453689 1.309718 -2.194830
H -5.513430 2.564384 0.250366
H 3.485079 -0.642212 0.428868
H 1.059481 4.422793 0.624839
H -2.523441 1.844666 2.309325
H -4.256604 2.190418 2.607124
H 4.521841 0.682293 -2.114193
H 3.641538 -3.799058 2.131057
H 4.646268 -2.747591 1.071454
H 3.806511 -4.198259 0.420165
H -4.353840 -0.248784 2.999158


