%chk=000145626.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145626

0 1
 O    2.139400      0.4052000      -1.841400    
 O   0.9338000      -3.344800      0.6748000    
 O   -3.881000      -1.793800      0.5628000    
 O   -2.650300       2.073100      -1.756800    
 O    3.453500       1.702600       1.171300    
 O    5.299800       2.709900      0.2381000    
 N    1.467800      -1.467900     -0.6284000    
 N   -3.227400      0.1014000     -0.6254000    
 N    3.613700     -0.4624000     -0.2712000    
 N   -4.984300      0.2076000      0.9741000    
 C  -0.8676000     -0.6745000     -0.6137000    
 C   0.2066000      -1.501100      -1.317200    
 C   -2.213500     -0.6703000      -1.335500    
 C    2.399200     -0.4382000     -0.9777000    
 C    1.715200      -2.452300      0.3524000    
 C   -4.024900     -0.5901000      0.3276000    
 C   -3.335300       1.463100     -0.9384000    
 C    3.883800      -1.409400      0.6892000    
 C    4.644400      0.5361000     -0.5390000    
 C    3.027000      -2.371700       1.025500    
 C   -4.379000       2.193700     -0.1921000    
 C   -5.128100       1.547800      0.6995000    
 C   -5.873200     -0.3722000       1.976400    
 C    4.515400       1.770500      0.3220000    
 C    3.265000       2.837600       2.023100    
 H   -1.004300      -1.052900      0.4078000    
 H  -0.5158000      0.3591000     -0.4993000    
 H   0.3373000      -1.131500      -2.341000    
 H  -0.1352000      -2.539800      -1.400500    
 H   -2.084200     -0.2546000      -2.342000    
 H   -2.564700      -1.701000      -1.462300    
 H    4.847300      -1.342600       1.183600    
 H    5.636000      9.6199997E-02 -0.3853000    
 H    4.561600      0.8562000      -1.583300    
 H    3.264200      -3.104300       1.787500    
 H   -4.513100       3.250600     -0.3890000    
 H   -5.898200       2.074000       1.254100    
 H   -5.677400      -1.438300       2.117500    
 H   -6.910500     -0.2456000       1.650600    
 H   -5.720100      0.1425000       2.930400    
 H    3.087400       3.735400       1.423500    
 H    4.134700       2.971500       2.673300    
 H    2.386000       2.652100       2.646000    


%chk=000145626-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145626

0 1
O 2.173902 0.321451 -1.932356
O 0.774266 -3.251480 0.786403
O -3.988869 -1.846401 0.463660
O -2.578792 2.075075 -1.715028
O 3.594483 1.786613 1.154982
O 5.616191 2.566031 0.291256
N 1.474428 -1.471715 -0.579644
N -3.289910 0.114771 -0.628735
N 3.641376 -0.501206 -0.299679
N -5.105387 0.166982 0.929649
C -0.893359 -0.634035 -0.547858
C 0.159838 -1.499213 -1.275213
C -2.225526 -0.651498 -1.330427
C 2.398852 -0.497925 -0.997913
C 1.683012 -2.424541 0.484144
C -4.111465 -0.605571 0.263041
C -3.377644 1.528700 -0.898788
C 3.899142 -1.389751 0.737340
C 4.613328 0.539317 -0.658360
C 2.987663 -2.333657 1.132183
C -4.434228 2.217945 -0.166178
C -5.240743 1.530872 0.705535
C -6.002612 -0.526749 1.878918
C 4.686477 1.730428 0.303548
C 3.545139 2.961211 2.064939
H -1.055461 -1.038808 0.467053
H -0.529774 0.406170 -0.470682
H 0.322870 -1.126824 -2.300271
H -0.167525 -2.552574 -1.298382
H -2.090847 -0.180023 -2.318697
H -2.588073 -1.686469 -1.446687
H 4.877934 -1.289074 1.214834
H 5.626977 0.113319 -0.750162
H 4.316753 0.937599 -1.646174
H 3.202435 -3.033004 1.940201
H -4.553439 3.288625 -0.332301
H -6.036386 2.024032 1.271489
H -5.709994 -1.586694 1.903048
H -7.052170 -0.446123 1.546359
H -5.899378 -0.097223 2.890568
H 3.484200 3.889143 1.472990
H 4.446409 2.988880 2.699490
H 2.636910 2.810294 2.663508


