%chk=000201237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201237

0 1
O 5.287406 -0.623134 -0.616968
N -1.934186 2.308257 0.288341
N -0.062786 -0.944874 0.712910
C -1.824015 0.927628 0.878479
C -0.450676 0.396383 0.582709
C 0.642244 1.174376 0.205250
C 0.524966 2.633835 -0.033916
C -0.763945 3.181474 0.619192
C 1.771611 0.298746 0.071295
C 1.306789 -1.027901 0.382262
C -2.904360 0.056472 0.261798
C 3.122649 0.500244 -0.276198
C 2.164572 -2.147267 0.348486
C -3.733540 -0.713870 1.088876
C -3.064541 0.007124 -1.130293
C 3.940391 -0.617222 -0.301138
C 3.482742 -1.937601 0.005411
C -4.716446 -1.531297 0.522854
C -4.049846 -0.809623 -1.690557
C -4.875615 -1.580732 -0.865569
C 5.899196 0.640650 -0.963369
H -1.946795 0.948349 1.999340
H 1.406703 3.176240 0.357853
H 0.498041 2.820811 -1.129898
H -0.604171 3.291973 1.713551
H -0.985324 4.192434 0.213296
H -2.800753 2.743847 0.622069
H -0.672596 -1.718712 0.887601
H 3.473472 1.496795 -0.509755
H 1.791983 -3.139981 0.585612
H -3.621492 -0.677420 2.170400
H -2.416852 0.618072 -1.764448
H 4.200678 -2.753700 -0.042539
H -5.360629 -2.128301 1.165710
H -4.174160 -0.844875 -2.771738
H -5.642093 -2.216844 -1.303879
H 5.847455 1.332155 -0.117600
H 5.429429 1.057616 -1.858851
H 6.935692 0.342271 -1.165281


%chk=000201237-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201237

0 1
O 5.359465 -0.647548 -0.632155
N -1.889451 2.323231 0.282932
N -0.063474 -0.915233 0.716074
C -1.833738 0.952938 0.854657
C -0.440689 0.426570 0.580692
C 0.660819 1.190400 0.197012
C 0.555668 2.679410 -0.022377
C -0.744011 3.194572 0.646299
C 1.782759 0.282116 0.072903
C 1.299453 -1.033962 0.402649
C -2.928687 0.065213 0.253897
C 3.149430 0.461570 -0.280499
C 2.145006 -2.164394 0.379199
C -3.746372 -0.733133 1.089804
C -3.117546 0.015525 -1.150736
C 3.986171 -0.673245 -0.299608
C 3.491714 -1.973538 0.025376
C -4.738531 -1.575954 0.533801
C -4.108232 -0.820942 -1.706708
C -4.920824 -1.621719 -0.866571
C 5.934056 0.648793 -0.980122
H -1.986841 0.958705 1.967433
H 1.425804 3.214041 0.408292
H 0.529648 2.914896 -1.105221
H -0.581809 3.238047 1.752088
H -0.971094 4.218880 0.299642
H -2.801842 2.762361 0.454692
H -0.705075 -1.683462 0.903036
H 3.524896 1.458029 -0.531297
H 1.776206 -3.165455 0.628171
H -3.616290 -0.686073 2.179036
H -2.486070 0.646504 -1.785187
H 4.193396 -2.812137 -0.009492
H -5.368786 -2.186666 1.190159
H -4.249577 -0.852708 -2.793116
H -5.690023 -2.270511 -1.300632
H 5.858646 1.365691 -0.137815
H 5.443630 1.083172 -1.874429
H 6.993393 0.448414 -1.200579


