%chk=000214701.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214701

0 1
O 1.819510 -2.061970 -1.195284
O -0.505125 2.067650 -0.760603
O -2.587892 -1.959870 0.064538
O 4.660116 2.248532 -1.402167
O 2.882612 1.384624 -2.431303
N -0.373977 -2.021651 -0.567181
N -1.569558 0.083760 -0.331558
C 0.894377 0.122797 -0.821447
C 0.861890 -1.392918 -0.886837
C -0.415904 0.870566 -0.650085
C 1.851490 0.548068 0.271838
C -0.408926 -3.525448 -0.517494
C -1.589982 -1.348825 -0.245586
C -0.151908 -4.028524 0.909723
C -2.841100 0.777840 -0.102597
C 3.051013 1.236635 0.001304
C 1.518710 0.236764 1.599790
C -0.147858 -5.553035 0.947092
C 3.896170 1.601595 1.066444
C 2.365403 0.604460 2.647263
C -2.908722 1.765917 0.890794
C -3.959109 0.444973 -0.881486
C 3.556583 1.288322 2.381694
C 3.451359 1.589524 -1.377938
C -4.120896 2.428980 1.098914
C -5.162948 1.115998 -0.652305
C -5.245734 2.105717 0.332839
H 1.301130 0.461288 -1.848295
H -1.403453 -3.868409 -0.883909
H 0.365545 -3.912025 -1.220875
H 0.815884 -3.638318 1.283082
H -0.931627 -3.635226 1.594123
H 0.592951 -0.296908 1.819274
H -1.106731 -5.971628 0.617876
H 0.636460 -5.975279 0.307183
H 0.032174 -5.919750 1.965102
H 4.828016 2.136771 0.850184
H 2.095560 0.356634 3.675633
H -2.028860 2.028357 1.475941
H -3.897680 -0.334877 -1.639462
H 4.217768 1.575498 3.199360
H -4.186181 3.203137 1.863023
H -6.040731 0.864066 -1.247068
H -6.187067 2.625751 0.502964
H 4.933748 2.488739 -2.332198


%chk=000214701-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214701

0 1
O 1.934998 -2.195917 0.221702
O -0.409539 1.889747 0.669435
O -2.618569 -1.988829 -0.753038
O 4.100476 2.505238 -2.043916
O 2.214552 1.234199 -2.400854
N -0.325622 -2.095138 -0.326905
N -1.537036 -0.007506 -0.112487
C 0.954316 0.025107 -0.151906
C 0.918963 -1.497284 -0.028546
C -0.358445 0.724710 0.209963
C 2.149360 0.649992 0.559524
C -0.380026 -3.581255 -0.460793
C -1.555969 -1.397291 -0.438607
C -0.703681 -4.281337 0.876254
C -2.825512 0.682962 -0.061489
C 3.130501 1.438168 -0.116266
C 2.281292 0.457755 1.953608
C -0.757018 -5.813518 0.700514
C 4.207162 2.008854 0.620106
C 3.349423 1.023712 2.676643
C -3.314675 1.156841 1.173873
C -3.554804 0.875289 -1.253901
C 4.319063 1.805286 2.006262
C 3.067172 1.682290 -1.582827
C -4.552849 1.834517 1.213775
C -4.795731 1.546490 -1.205032
C -5.295920 2.028295 0.026798
H 1.079881 0.224119 -1.247082
H -1.153563 -3.812897 -1.211232
H 0.607440 -3.903598 -0.831014
H 0.069446 -4.012906 1.620415
H -1.677006 -3.913118 1.252125
H 1.535565 -0.148669 2.479649
H -1.534436 -6.104199 -0.030514
H 0.212083 -6.209620 0.343968
H -0.992304 -6.311980 1.657613
H 4.946456 2.609480 0.085141
H 3.426539 0.857203 3.756517
H -2.728998 1.010965 2.086237
H -3.162968 0.493980 -2.201712
H 5.152046 2.249625 2.560722
H -4.934219 2.209966 2.169316
H -5.369062 1.692745 -2.126610
H -6.257578 2.551924 0.060963
H 3.995299 2.623902 -3.026088


