%chk=000290610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290610

0 1
O -3.330647 1.067694 1.965912
O 1.892010 3.506639 -0.676155
O 0.039283 -2.116715 1.312741
N 0.501524 -1.072941 -0.697268
C -2.228515 0.285901 1.483849
C -2.701726 -0.713843 0.437441
C -1.127306 1.173945 0.956239
C -1.800331 -1.617949 -0.148958
C -4.053458 -0.766157 0.072750
C 0.066708 1.305275 1.677355
C -1.285570 1.859349 -0.262477
C -2.244471 -2.551462 -1.094199
C -0.357044 -1.642894 0.267031
C -4.496074 -1.695272 -0.871499
C -3.592329 -2.587237 -1.458839
C 1.118383 2.079489 1.182353
C -0.257819 2.639385 -0.775021
C 0.949308 2.729442 -0.047345
C 1.914923 -0.892699 -0.562040
C 2.653900 -1.492642 0.472823
C 2.562747 -0.089831 -1.526028
C 4.032927 -1.289094 0.533999
C 3.942344 0.096662 -1.446081
C 4.682764 -0.497668 -0.418722
C 3.222232 3.551266 -0.100695
H -1.923070 -0.274136 2.408759
H -4.761987 -0.086457 0.553069
H 0.189699 0.784004 2.630091
H -2.219956 1.765895 -0.818231
H -1.539390 -3.256068 -1.537114
H -5.550443 -1.729110 -1.146017
H -3.939106 -3.313811 -2.191976
H 2.044059 2.156511 1.744117
H -0.357583 3.177597 -1.714310
H -3.483690 1.851047 1.398067
H 0.071621 -0.617389 -1.508388
H 2.152764 -2.111363 1.224421
H 1.998633 0.386534 -2.324193
H 4.606827 -1.756456 1.334546
H 4.445006 0.708932 -2.194259
H 5.758235 -0.351771 -0.365301
H 3.652917 2.544002 -0.067994
H 3.191791 4.017219 0.887985
H 3.755606 4.186778 -0.819040


%chk=000290610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000290610

0 1
O -3.430445 0.869964 2.047166
O 1.100653 4.698367 -0.361339
O 0.132418 -1.646027 1.510963
N 0.785987 -1.564584 -0.744696
C -2.165523 0.321315 1.502323
C -2.558725 -0.654763 0.388727
C -1.261373 1.453338 1.008722
C -1.590903 -1.507602 -0.221284
C -3.891729 -0.692042 -0.080391
C 0.040088 1.625040 1.531091
C -1.733965 2.379944 0.038083
C -1.982986 -2.373795 -1.276027
C -0.165598 -1.572236 0.277190
C -4.273151 -1.554578 -1.132522
C -3.317247 -2.400707 -1.735396
C 0.867599 2.690169 1.105105
C -0.927391 3.445091 -0.393631
C 0.379421 3.603323 0.139371
C 2.201910 -1.679730 -0.652691
C 2.884526 -1.919275 0.570863
C 2.944528 -1.554074 -1.859082
C 4.291834 -2.031718 0.565459
C 4.348755 -1.667558 -1.846113
C 5.033617 -1.908138 -0.631649
C 2.455422 4.907758 0.155144
H -1.632327 -0.241640 2.291943
H -4.621779 -0.041353 0.406770
H 0.422991 0.905289 2.263873
H -2.743123 2.259992 -0.371477
H -1.249121 -3.064105 -1.709346
H -5.314526 -1.570675 -1.472942
H -3.607068 -3.083765 -2.541142
H 1.873391 2.789364 1.523652
H -1.278905 4.166673 -1.137670
H -3.195547 1.585152 2.689843
H 0.415753 -1.395511 -1.683699
H 2.310639 -2.009806 1.494317
H 2.420914 -1.366073 -2.805675
H 4.811495 -2.219575 1.511876
H 4.906925 -1.569043 -2.783707
H 6.124986 -1.998248 -0.620841
H 3.111876 4.045722 -0.073572
H 2.446180 5.086694 1.247993
H 2.825221 5.804030 -0.364185


