%chk=000215606.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215606

0 1
O -5.550210 1.190646 1.375905
O 2.774613 2.274677 -1.399536
O 6.071205 -0.960169 -1.414029
O -3.576506 -3.397251 2.277443
O -1.832909 -2.095730 -1.955243
N 0.905159 0.116045 -0.180458
N -2.435488 2.728204 0.436274
N 4.019135 -1.605869 -0.598513
N 4.421778 0.665282 -1.395852
N 1.680294 -2.003159 0.219315
C -1.141232 3.133785 1.081118
C -0.201485 1.904980 1.133781
C 0.020816 1.294743 -0.255872
C 2.254678 0.091606 -0.571193
C -3.402543 2.114659 1.387390
C -0.519134 4.292466 0.295879
C 2.705235 -1.235637 -0.314200
C -4.345379 1.191061 0.581062
C 0.602469 -1.149421 0.294837
C 3.084549 1.127856 -1.137255
C -3.783852 -0.211900 0.442964
C 4.922443 -0.651471 -1.155794
C 4.479312 -2.989932 -0.331520
C 5.401101 1.634927 -1.960530
C -3.071989 -0.550109 -0.708346
C -3.975976 -1.143994 1.472233
C -3.433274 -2.428285 1.322085
C -2.539102 -1.849111 -0.811826
C -2.696096 -2.811536 0.191456
H -1.300826 3.474232 2.140963
H 0.768438 2.207393 1.577324
H -0.628593 1.144686 1.817031
H 0.483207 2.049583 -0.943597
H -0.957836 0.993692 -0.708000
H -2.870505 3.528062 -0.036190
H -2.873011 1.523161 2.165304
H -4.028140 2.856211 1.936378
H -0.437793 4.070037 -0.777091
H 0.500289 4.505605 0.643839
H -1.096633 5.217066 0.398339
H -4.600892 1.625858 -0.413625
H -0.370313 -1.442232 0.677588
H 5.559244 -3.082548 -0.555740
H 3.920288 -3.706197 -0.959259
H 4.307844 -3.249851 0.728575
H 4.864479 2.483992 -2.423600
H 6.031414 1.145895 -2.724842
H 6.058651 2.023554 -1.164710
H -2.916621 0.160763 -1.517463
H -4.531274 -0.859366 2.361470
H -6.197992 0.550455 1.017197
H -2.287314 -3.814031 0.120457
H -4.099951 -3.083165 3.058779
H -1.446175 -3.011218 -1.974399


%chk=000215606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215606

0 1
O -5.110009 1.096147 2.456444
O 2.882113 2.377848 -0.963451
O 6.282583 -0.869272 -0.596677
O -2.768480 -3.491585 2.032463
O -3.252131 -1.854660 -2.513273
N 0.887910 -0.004911 -0.534574
N -2.456293 2.660534 0.398010
N 4.065645 -1.614860 -0.400506
N 4.566223 0.718757 -0.773739
N 1.652955 -2.143458 -0.234821
C -1.066179 3.165728 0.582172
C -0.056881 1.988460 0.652252
C -0.043457 1.141011 -0.635986
C 2.291085 0.053440 -0.581973
C -3.134070 2.142522 1.602037
C -0.734298 4.153544 -0.557562
C 2.720950 -1.274037 -0.400680
C -4.311563 1.210573 1.219625
C 0.560975 -1.331703 -0.321742
C 3.193737 1.155993 -0.789002
C -3.865101 -0.156753 0.711357
C 5.044194 -0.612685 -0.590002
C 4.480803 -3.017274 -0.205145
C 5.617968 1.742811 -0.970069
C -3.771224 -0.406456 -0.673816
C -3.536050 -1.173077 1.645766
C -3.107512 -2.433730 1.173655
C -3.334923 -1.675855 -1.123051
C -2.998296 -2.700228 -0.210656
H -0.970496 3.721176 1.547823
H 0.952197 2.403639 0.830212
H -0.306271 1.332419 1.509126
H 0.276642 1.756223 -1.492340
H -1.055701 0.749856 -0.832887
H -3.039019 3.350308 -0.095047
H -2.410682 1.568185 2.206964
H -3.549629 2.941053 2.258753
H -0.977518 3.716644 -1.543452
H 0.339413 4.408032 -0.553749
H -1.313014 5.089830 -0.448110
H -4.910962 1.711060 0.427396
H -0.468844 -1.671980 -0.233317
H 5.579164 -3.047801 -0.246995
H 4.049453 -3.652235 -0.996945
H 4.124221 -3.384194 0.771858
H 5.112059 2.711088 -1.095446
H 6.219611 1.501128 -1.861447
H 6.290490 1.765870 -0.097035
H -4.023161 0.362217 -1.409479
H -3.621999 -0.964310 2.719336
H -5.846728 0.451943 2.300227
H -2.669116 -3.693049 -0.537796
H -2.841029 -3.214463 2.979368
H -2.952158 -2.770461 -2.737770


