%chk=000217452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217452

1 1
O 3.434056 -0.225385 0.864773
N -0.456168 -1.742854 0.064552
C 0.576790 -0.613369 0.032221
C -1.655756 -1.324352 0.939898
C -0.924748 -2.068224 -1.335403
C 0.156035 -2.983846 0.682241
C 1.825109 -0.933608 -0.803637
C -2.369320 -0.102230 0.430182
C 2.919226 -0.008513 -0.431300
C -2.012663 1.168309 0.908720
C -3.433871 -0.235317 -0.474557
C 3.588578 1.018033 -1.043395
C -2.703521 2.299001 0.464979
C -4.120309 0.899739 -0.914501
C -3.754319 2.167322 -0.449326
C 4.582616 1.483359 -0.105157
C 4.459492 0.717609 1.022248
H 0.091168 0.312822 -0.364937
H 0.883457 -0.379177 1.082882
H -1.292606 -1.155182 1.983530
H -2.365805 -2.184947 1.007768
H -0.107518 -2.469438 -1.961918
H -1.733609 -2.821892 -1.331681
H -1.320317 -1.166257 -1.845640
H -0.557592 -3.827693 0.707681
H 1.046847 -3.324809 0.116782
H 0.494737 -2.799611 1.720040
H 1.617929 -0.840787 -1.893739
H 2.172633 -1.982084 -0.644146
H -1.213838 1.285295 1.640791
H -3.749036 -1.217606 -0.824273
H 3.438019 1.421445 -2.028261
H -2.428712 3.287757 0.840602
H -4.952114 0.796162 -1.615472
H -4.295812 3.053122 -0.791636
H 5.279114 2.283299 -0.289643
H 4.941830 0.654908 1.974632


%chk=000217452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000217452

1 1
O 3.312650 0.122106 0.960300
N -0.460202 -1.848314 0.023923
C 0.635958 -0.759300 0.088403
C -1.701908 -1.377668 0.890201
C -0.892003 -2.097649 -1.413855
C 0.040404 -3.151877 0.638942
C 1.928427 -1.060047 -0.707833
C -2.371134 -0.104458 0.431204
C 2.947948 -0.000335 -0.403460
C -1.982867 1.150341 0.973989
C -3.450783 -0.152018 -0.491684
C 3.673683 0.904664 -1.157504
C -2.640055 2.335359 0.578841
C -4.107170 1.032929 -0.888217
C -3.698762 2.279001 -0.357559
C 4.537668 1.628594 -0.244063
C 4.294541 1.133854 1.022716
H 0.173247 0.172194 -0.274874
H 0.882153 -0.635236 1.157090
H -1.299300 -1.282884 1.913332
H -2.396752 -2.234895 0.858127
H -0.040907 -2.497348 -1.983812
H -1.712035 -2.832496 -1.416919
H -1.237109 -1.152677 -1.856679
H -0.794238 -3.868536 0.683870
H 0.846728 -3.571089 0.020958
H 0.416421 -2.951001 1.653711
H 1.745430 -1.050330 -1.795542
H 2.338323 -2.053094 -0.440488
H -1.183211 1.201407 1.723494
H -3.798383 -1.116757 -0.882408
H 3.615067 1.040716 -2.235965
H -2.338815 3.295772 1.008701
H -4.943147 0.984674 -1.593063
H -4.213938 3.197140 -0.657578
H 5.247146 2.411383 -0.502846
H 4.686928 1.348878 2.012447


