%chk=000118799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000118799

0 1
O 3.282323 -0.224270 0.847610
O -3.288590 -0.323929 -0.997556
N 1.393877 0.270046 -0.388629
N -1.401022 0.304636 0.177465
N 3.174525 1.877107 -0.132180
N -3.178643 1.874904 -0.262410
C 0.701560 -0.959227 -0.125510
C -0.710554 -0.947691 0.056379
C 1.393268 -2.179729 -0.085771
C -1.404289 -2.163590 0.156158
C 2.677023 0.556097 0.130021
C -2.682987 0.531940 -0.372232
C 0.690797 -3.377263 0.055621
C -0.703817 -3.370603 0.152342
C 4.599220 2.070172 0.255786
C 2.823899 2.532318 -1.418243
C -4.602525 2.024806 -0.671837
C -2.828570 2.671449 0.941390
H 0.891381 0.957873 -0.948336
H -0.898013 1.050703 0.656249
H 2.484665 -2.183463 -0.155760
H -2.495659 -2.157470 0.226082
H 1.235435 -4.320095 0.082549
H -1.249992 -4.309458 0.233038
H 4.758795 3.133950 0.493804
H 5.312044 1.759469 -0.522862
H 4.821679 1.481659 1.169066
H 3.312018 3.520977 -1.477040
H 1.737029 2.715540 -1.464064
H 3.126476 1.952407 -2.305625
H -4.760174 3.055002 -1.029010
H -5.316853 1.805275 0.135945
H -4.824713 1.336949 -1.512909
H -3.134339 2.197131 1.888406
H -3.314167 3.661558 0.886112
H -1.741307 2.856020 0.968447


%chk=000118799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000118799

0 1
O 3.475554 -0.336300 0.775289
O -3.344890 -0.376922 -1.116336
N 1.367524 0.162326 -0.156555
N -1.364097 0.183523 0.032401
N 3.114924 1.748536 -0.235344
N -3.110315 1.762163 -0.183987
C 0.717207 -1.099455 0.003935
C -0.714454 -1.094014 0.008142
C 1.414116 -2.326852 0.113289
C -1.423652 -2.316801 0.030164
C 2.703920 0.466985 0.165213
C -2.654408 0.463614 -0.462429
C 0.693687 -3.538620 0.166262
C -0.718528 -3.536730 0.100691
C 4.486960 2.171842 0.087152
C 2.242039 2.696529 -0.939613
C -4.438532 2.155112 -0.681140
C -2.320796 2.756335 0.554284
H 0.828672 0.846014 -0.692882
H -0.909866 0.884202 0.622634
H 2.504357 -2.312262 0.160405
H -2.514026 -2.296254 -0.018181
H 1.240858 -4.484185 0.245890
H -1.274524 -4.480139 0.118455
H 4.485732 3.056491 0.753191
H 5.052474 2.416876 -0.832368
H 4.986022 1.337662 0.603197
H 2.820311 3.602467 -1.180496
H 1.375521 3.017442 -0.321700
H 1.865096 2.288578 -1.900054
H -4.365291 3.010687 -1.380101
H -5.109742 2.431918 0.154533
H -4.867775 1.293968 -1.215345
H -2.071445 2.420290 1.582172
H -2.912743 3.679809 0.653946
H -1.380089 3.026363 0.027785


