%chk=000218557.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218557

0 1
O 2.423837 -0.871828 1.352624
O -4.185374 0.938600 0.971790
O -4.099179 1.048667 -1.185596
N 2.717382 -0.389189 -0.940367
N -3.604456 0.810705 -0.094718
C 1.846135 -1.102738 0.039976
C 3.300248 0.755293 -0.164424
C 3.164506 0.376581 1.325424
C 0.426196 -0.559858 -0.004986
C 3.762395 -1.279747 -1.520757
C -0.284723 -0.400780 1.194408
C -0.183278 -0.266996 -1.233734
C -1.603697 0.047534 1.172441
C -1.502629 0.183170 -1.268470
C -2.205463 0.335555 -0.063093
H 1.841292 -2.213084 -0.063538
H 2.696396 1.656152 -0.410196
H 4.343011 0.976308 -0.454519
H 4.118384 0.143843 1.822838
H 2.587247 1.107498 1.911896
H 4.436594 -1.741291 -0.782849
H 4.370396 -0.699266 -2.234550
H 3.272373 -2.081708 -2.097151
H 0.210524 -0.626890 2.143966
H 0.383823 -0.375779 -2.161965
H -2.172394 0.176627 2.099293
H -1.993249 0.418921 -2.218742


%chk=000218557-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218557

0 1
O 2.488712 -0.864836 1.381402
O -4.281085 0.876824 1.026412
O -4.103924 1.238919 -1.218177
N 2.726789 -0.507799 -0.963175
N -3.619616 0.855617 -0.083191
C 1.849935 -1.126277 0.032753
C 3.136882 0.766867 -0.296737
C 3.252386 0.404166 1.224923
C 0.424825 -0.567692 0.007204
C 3.865935 -1.370193 -1.377947
C -0.343794 -0.530349 1.198316
C -0.151133 -0.134707 -1.213907
C -1.672637 -0.065113 1.177760
C -1.477597 0.336839 -1.252726
C -2.220810 0.362409 -0.052160
H 1.837205 -2.224927 -0.080593
H 2.348424 1.523261 -0.453061
H 4.076691 1.143852 -0.729359
H 4.290982 0.205416 1.543154
H 2.809790 1.184761 1.869466
H 4.517602 -1.690274 -0.535168
H 4.479623 -0.821910 -2.112349
H 3.473328 -2.272902 -1.876425
H 0.121654 -0.851560 2.134867
H 0.464310 -0.161201 -2.118500
H -2.285096 -0.023870 2.082247
H -1.943086 0.680979 -2.180030


