%chk=000227858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227858

0 1
O -0.262462 -0.219812 -0.142686
O 0.882146 -0.118191 1.801480
C -1.536246 -0.406187 0.568411
C -2.381579 -1.280522 -0.369817
C -2.220170 0.962805 0.697081
C -3.645204 -0.472895 -0.714830
C -3.664331 0.756505 0.214839
C 2.055452 0.118733 -0.361475
C 0.890402 -0.076686 0.593226
C 3.064338 -1.027524 -0.159752
C 2.698724 1.491370 -0.087914
C 2.508199 -2.370804 -0.620319
C 1.774842 2.644879 -0.464520
H -1.318842 -0.880537 1.545926
H -2.633042 -2.241039 0.108687
H -1.802886 -1.527565 -1.280754
H -1.693997 1.703328 0.065144
H -2.176848 1.346658 1.728845
H -4.556350 -1.080449 -0.592516
H -3.620679 -0.155339 -1.772252
H -4.047027 1.649189 -0.305743
H -4.337712 0.582997 1.072793
H 1.670238 0.093214 -1.414035
H 3.993906 -0.796611 -0.717034
H 3.356875 -1.085115 0.909817
H 2.980882 1.566065 0.983325
H 3.645841 1.569147 -0.657945
H 1.609854 -2.653930 -0.057212
H 3.243959 -3.171334 -0.479384
H 2.235475 -2.357835 -1.682031
H 0.846880 2.630412 0.120991
H 2.257644 3.612248 -0.282575
H 1.491517 2.612424 -1.523171


%chk=000227858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227858

0 1
O -0.303944 -0.340372 -0.259947
O 0.867004 0.020397 1.727781
C -1.563834 -0.557162 0.535428
C -2.558070 -1.324220 -0.369511
C -2.236010 0.809354 0.868773
C -3.543606 -0.249386 -0.894855
C -3.685249 0.705236 0.319164
C 2.065782 0.134164 -0.431324
C 0.853077 -0.056698 0.474986
C 3.104890 -0.990574 -0.148218
C 2.685301 1.538762 -0.189410
C 2.595725 -2.410544 -0.472907
C 1.744452 2.707600 -0.551914
H -1.272202 -1.114708 1.441581
H -3.110370 -2.057249 0.249059
H -2.028538 -1.879454 -1.161712
H -1.688042 1.602619 0.325783
H -2.183649 1.048093 1.943795
H -4.505957 -0.677455 -1.226753
H -3.099516 0.292056 -1.752458
H -4.103376 1.691906 0.052049
H -4.356273 0.252126 1.074886
H 1.720047 0.056490 -1.479443
H 4.009151 -0.772674 -0.750384
H 3.403338 -0.929723 0.916463
H 2.981903 1.611426 0.874765
H 3.612773 1.607747 -0.791426
H 1.722840 -2.679184 0.149926
H 3.384251 -3.162216 -0.286447
H 2.289116 -2.492745 -1.532414
H 0.841034 2.709114 0.086215
H 2.251964 3.679197 -0.410534
H 1.415786 2.645678 -1.606398


