%chk=000289225.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289225

0 1
O -0.817257 1.489111 -0.020902
O 3.288057 -0.234063 -0.006968
O 2.311007 1.792520 -0.100696
N -1.217105 -0.891583 0.033505
C -2.709365 -0.822082 0.022014
C -3.090443 0.628687 0.421573
C -2.256502 1.674051 -0.318817
C -0.365970 0.218447 -0.011670
C -3.211735 -1.163305 -1.388176
C -3.274209 -1.810754 1.050232
C -0.400000 -2.061829 0.048582
C 0.969538 -0.217839 -0.007314
C -2.496571 3.097523 0.143615
C 0.918384 -1.660344 0.034179
C 2.167750 0.588174 -0.043511
C 4.585821 0.446084 -0.040225
C 5.592729 -0.684971 0.012132
H -2.956994 0.758465 1.516867
H -4.167054 0.799706 0.235108
H -2.339557 1.568859 -1.423928
H -2.826679 -0.468054 -2.144271
H -2.890204 -2.166472 -1.698308
H -4.305243 -1.140760 -1.440944
H -4.356400 -1.687015 1.169303
H -3.099138 -2.853185 0.756859
H -2.814609 -1.679372 2.039331
H -0.827682 -3.043229 0.070001
H -1.702788 3.762589 -0.238558
H -3.458826 3.484885 -0.206181
H -2.462088 3.191534 1.237370
H 1.797919 -2.279888 0.047913
H 4.634243 1.036668 -0.971191
H 4.635892 1.121425 0.831189
H 6.619537 -0.304090 -0.004569
H 5.465057 -1.287743 0.921464
H 5.466285 -1.368551 -0.838205


%chk=000289225-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289225

0 1
O -0.790380 1.497194 0.107535
O 3.335807 -0.309431 0.004456
O 2.273564 1.774730 0.105363
N -1.229214 -0.899925 0.021761
C -2.722217 -0.812133 0.029865
C -3.092137 0.650880 0.414781
C -2.220981 1.697657 -0.299654
C -0.355351 0.187290 0.049549
C -3.266348 -1.181496 -1.376026
C -3.295449 -1.780791 1.092972
C -0.459495 -2.087403 -0.024360
C 0.973266 -0.291775 0.036985
C -2.547768 3.142054 0.067445
C 0.883115 -1.737557 -0.008356
C 2.185756 0.519735 0.055480
C 4.634666 0.413925 0.022514
C 5.729955 -0.646775 -0.055460
H -2.971399 0.789792 1.506181
H -4.155615 0.821693 0.167672
H -2.264512 1.557561 -1.399857
H -2.913683 -0.473208 -2.146054
H -2.928546 -2.190559 -1.670106
H -4.371489 -1.175303 -1.371329
H -4.385270 -1.625765 1.188018
H -3.129410 -2.836261 0.814853
H -2.827313 -1.603081 2.076628
H -0.934131 -3.064794 -0.059967
H -1.812080 3.823533 -0.391177
H -3.555607 3.413826 -0.294586
H -2.511455 3.283332 1.161666
H 1.735949 -2.411156 -0.030843
H 4.665155 1.113678 -0.833183
H 4.695426 1.013623 0.949699
H 6.724666 -0.164127 -0.043705
H 5.668557 -1.338931 0.802244
H 5.639769 -1.236430 -0.984199


