%chk=000194687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194687

0 1
O -3.515223 1.279291 0.599818
O -0.876588 -2.020235 -1.366239
O 5.536118 0.808823 0.939798
O 5.426619 -0.256494 -0.939173
N 4.917014 0.317467 0.009085
N -1.486483 -2.501363 0.766570
C 0.665012 0.632161 0.090450
C -1.701871 -0.197424 -0.019482
C -0.798038 0.785773 0.131908
C -3.131057 0.039805 0.040710
C 1.433650 1.197876 1.126499
C 1.298301 -0.031013 -0.973062
C 3.441930 0.426685 0.035319
C 2.821859 1.092752 1.105194
C 2.688761 -0.135390 -1.005882
C -4.247945 -0.671376 -0.333390
C -1.313532 -1.628130 -0.299036
C -5.391076 0.140083 -0.004417
C -4.911392 1.297543 0.550920
H -1.143215 1.815721 0.314791
H 0.942880 1.715657 1.951281
H 0.697718 -0.479393 -1.776995
H 3.433694 1.522314 1.906240
H 3.193732 -0.651731 -1.830851
H -4.285609 -1.640340 -0.796972
H -6.414660 -0.135271 -0.177676
H -5.330964 2.195096 0.948846
H -1.855455 -2.216413 1.656665
H -1.246378 -3.476574 0.663783


%chk=000194687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194687

0 1
O -3.581478 1.333434 0.626159
O -1.937635 -2.077644 -1.658848
O 5.597994 1.176216 0.762356
O 5.458183 -0.435268 -0.849973
N 4.920732 0.390601 -0.011492
N -0.920023 -2.507668 0.385755
C 0.621978 0.509998 0.234690
C -1.821881 -0.270360 -0.001813
C -0.834023 0.624294 0.364778
C -3.229679 0.066255 0.088640
C 1.433383 1.361307 1.048825
C 1.280794 -0.355573 -0.695326
C 3.446846 0.437302 0.070067
C 2.834717 1.326955 0.982246
C 2.681218 -0.396300 -0.778541
C -4.398896 -0.614380 -0.260286
C -1.559799 -1.679777 -0.516680
C -5.511452 0.241446 0.064086
C -4.982766 1.406899 0.598722
H -1.186881 1.571800 0.794360
H 0.945019 2.049102 1.748594
H 0.693241 -0.967406 -1.384678
H 3.460552 1.966828 1.609453
H 3.193538 -1.046269 -1.492722
H -4.437262 -1.596083 -0.726846
H -6.567051 0.024629 -0.084659
H -5.412249 2.327697 0.983675
H -0.628740 -2.174192 1.303545
H -0.710579 -3.467944 0.110615


