%chk=000179307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179307

0 1
O 3.539142 0.837330 1.874673
O 1.503554 1.513124 2.158849
O -5.159588 -1.459082 0.814857
O -5.025381 0.419066 -0.232697
N 2.490973 1.319856 1.481583
N -4.521286 -0.584586 0.245096
C 1.631736 0.706995 -0.818252
C 2.471799 1.730278 -0.000657
C 0.160706 0.978678 -0.629505
C 1.969947 3.181095 -0.124622
C -0.262943 2.287155 -0.788561
C 0.765864 3.344089 -1.066483
C 2.056394 -0.720279 -0.568763
C -0.766957 -0.059312 -0.310513
C -0.310969 -1.405419 -0.090011
C 1.124193 -1.718783 -0.225160
C -2.150780 0.265365 -0.196524
C -1.643030 2.605817 -0.667813
C -2.557833 1.622154 -0.388776
C 3.412004 -1.055121 -0.726369
C -1.232955 -2.385155 0.241887
C -3.063601 -0.795062 0.127293
C 1.585914 -3.035534 -0.020796
C -2.604881 -2.083181 0.352598
C 3.851318 -2.362088 -0.521368
C 2.933291 -3.356418 -0.163800
H 1.857821 0.920393 -1.907911
H 3.538231 1.671422 -0.350737
H 2.799492 3.830482 -0.465717
H 1.674537 3.571247 0.877071
H 1.089850 3.279364 -2.127152
H 0.342568 4.362648 -0.948999
H -1.965162 3.639829 -0.796993
H -3.622743 1.877293 -0.309073
H 4.136547 -0.287589 -0.998548
H -0.913272 -3.413743 0.428097
H 0.876781 -3.819610 0.256874
H -3.310723 -2.881465 0.620319
H 4.907257 -2.607807 -0.634658
H 3.272887 -4.378144 0.004062


%chk=000179307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179307

0 1
O 3.361559 0.657634 2.044527
O 1.298079 1.613149 2.232768
O -5.205091 -1.536987 0.919943
O -5.111303 0.446794 -0.182416
N 2.366922 1.328126 1.576390
N -4.538633 -0.603681 0.315625
C 1.659466 0.725036 -0.788872
C 2.459499 1.764834 0.102755
C 0.171926 0.979495 -0.666195
C 1.943390 3.217233 -0.077458
C -0.248825 2.301555 -0.885430
C 0.824430 3.332236 -1.155707
C 2.091265 -0.718926 -0.591777
C -0.758425 -0.049318 -0.312676
C -0.287304 -1.394041 -0.056365
C 1.149232 -1.726713 -0.227752
C -2.173261 0.287801 -0.208493
C -1.628194 2.620104 -0.777625
C -2.572889 1.641806 -0.459012
C 3.445584 -1.066193 -0.810523
C -1.225696 -2.366073 0.341316
C -3.073211 -0.774342 0.183331
C 1.624200 -3.062734 -0.072312
C -2.596716 -2.062039 0.464135
C 3.896298 -2.389876 -0.656007
C 2.974084 -3.393753 -0.276544
H 1.971624 1.025739 -1.814890
H 3.533642 1.671004 -0.120323
H 2.789334 3.878104 -0.335378
H 1.525523 3.559641 0.884800
H 1.269398 3.178584 -2.161061
H 0.406751 4.353941 -1.146360
H -1.956807 3.652366 -0.943544
H -3.629331 1.898880 -0.397319
H 4.160778 -0.289640 -1.105294
H -0.912171 -3.387852 0.564436
H 0.932336 -3.863272 0.201740
H -3.313329 -2.825991 0.774679
H 4.948852 -2.638568 -0.825972
H 3.307717 -4.428763 -0.148341


