%chk=000195168.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195168

1 1
O 0.995466 0.433373 -0.735995
O -0.155874 2.376692 -0.989181
N 4.015268 0.004588 0.858251
N -1.218410 0.449742 -0.145946
C 3.059474 1.167902 1.167104
C 3.452407 -0.856915 -0.281510
C 2.743728 1.998485 -0.072554
C 3.141184 -0.034901 -1.531571
C 2.194214 1.124745 -1.205371
C 5.386492 0.529416 0.497500
C 4.139175 -0.859331 2.097517
C -0.178050 1.208843 -0.671073
C -2.576575 0.985563 -0.140765
C -1.020841 -0.927569 0.278726
C -3.645710 0.120992 -0.428673
C -1.483518 -1.302170 1.551739
C -2.794812 2.337975 0.160368
C -0.391336 -1.855942 -0.564828
C -4.947888 0.624399 -0.395737
C -1.311027 -2.621812 1.973647
C -4.106232 2.821229 0.181478
C -0.225670 -3.170912 -0.122661
C -5.181260 1.969804 -0.090310
C -0.681650 -3.555181 1.142078
H 3.496447 1.803539 1.969337
H 2.103780 0.738393 1.565271
H 2.498208 -1.333141 0.073077
H 4.166569 -1.677327 -0.514256
H 1.977941 2.773943 0.190605
H 3.614944 2.586139 -0.422971
H 4.055538 0.343972 -2.029510
H 2.658326 -0.704781 -2.284088
H 1.926282 1.732797 -2.101460
H 6.096188 -0.290785 0.281801
H 5.350291 1.174993 -0.400973
H 5.821444 1.134992 1.314613
H 4.821921 -1.714852 1.936390
H 4.534328 -0.288379 2.959028
H 3.160221 -1.276894 2.404480
H -3.472384 -0.925374 -0.678214
H -1.989631 -0.578091 2.192361
H -1.960484 3.014378 0.352640
H -0.049370 -1.555520 -1.555267
H -5.787179 -0.037577 -0.616043
H -1.679630 -2.927466 2.954819
H -4.287591 3.872931 0.410039
H 0.241554 -3.906430 -0.778414
H -6.201213 2.354918 -0.070154
H -0.564459 -4.587092 1.474354


%chk=000195168-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195168

1 1
O 1.010527 0.507127 -0.707331
O -0.174852 2.483144 -1.134209
N 4.013118 -0.085531 0.951654
N -1.261604 0.521984 -0.319448
C 3.029494 1.058535 1.319610
C 3.510928 -0.818092 -0.321538
C 2.758666 2.013884 0.149850
C 3.239154 0.138577 -1.492255
C 2.247412 1.238568 -1.082497
C 5.420512 0.461029 0.741581
C 4.041716 -1.086697 2.103049
C -0.192442 1.287037 -0.753285
C -2.633046 1.015842 -0.262510
C -1.000460 -0.847104 0.124271
C -3.667564 0.086399 0.027063
C -0.852023 -1.108458 1.505401
C -2.958584 2.381810 -0.477613
C -0.926699 -1.894689 -0.819399
C -5.007287 0.519864 0.103577
C -0.607544 -2.430901 1.943505
C -4.305717 2.796080 -0.397326
C -0.679664 -3.214596 -0.377631
C -5.337571 1.876942 -0.105972
C -0.516032 -3.484708 1.002292
H 3.461519 1.576829 2.192492
H 2.092487 0.558466 1.618149
H 2.571943 -1.320511 -0.035002
H 4.272942 -1.576220 -0.569992
H 1.988311 2.737199 0.470557
H 3.651708 2.607716 -0.118884
H 4.166024 0.594758 -1.884592
H 2.806527 -0.461642 -2.311511
H 2.023761 1.932391 -1.910165
H 6.094319 -0.373268 0.492640
H 5.422513 1.192545 -0.076969
H 5.756345 0.947171 1.670574
H 4.739060 -1.902613 1.856775
H 4.375133 -0.574987 3.019420
H 3.029076 -1.493478 2.248199
H -3.439469 -0.969936 0.189435
H -0.961831 -0.289224 2.224775
H -2.179356 3.104971 -0.717673
H -1.070190 -1.675823 -1.882525
H -5.792462 -0.210658 0.325032
H -0.517829 -2.642260 3.014730
H -4.544131 3.851506 -0.567134
H -0.633215 -4.031447 -1.105532
H -6.378444 2.210205 -0.046742
H -0.344584 -4.511435 1.342805


