%chk=000201763.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201763

0 1
O 0.656078 -4.001432 0.373257
O 1.705950 -1.084518 -0.603342
O -1.419807 -1.077103 0.841668
O 0.493027 0.539426 -1.661605
O -0.337926 0.759293 1.658775
N 2.518230 1.057739 -0.588835
N -2.471739 0.958931 0.690073
C -0.002710 -2.750412 -0.073996
C -1.224182 -3.562057 -0.591056
C -0.493888 -4.814625 -0.075679
C 0.835646 -2.097573 -1.173340
C -0.261673 -1.896994 1.168189
C 2.239338 2.528103 -0.577476
C 3.416945 0.605797 0.516930
C -2.313669 2.434857 0.487183
C -3.341518 0.314622 -0.341772
C 1.745317 3.014449 0.792410
C 2.912023 1.073442 1.889710
C -1.833832 2.770207 -0.932902
C -2.859134 0.626376 -1.766936
C 2.711692 2.594808 1.908310
C -2.754837 2.141721 -1.987666
C 1.452551 0.236044 -0.972886
C -1.296339 0.288865 1.072969
H -1.402301 -3.523149 -1.670065
H -2.172111 -3.316327 -0.093943
H -0.148591 -5.530657 -0.827491
H -0.933319 -5.318222 0.791082
H 0.201216 -1.654114 -1.966874
H 1.553743 -2.825579 -1.602764
H 0.612549 -1.270461 1.442097
H -0.568665 -2.511096 2.033398
H 1.497634 2.764725 -1.373811
H 3.192250 3.031786 -0.855385
H 4.424686 1.026847 0.302722
H 3.512631 -0.503855 0.485900
H -1.606723 2.832188 1.250336
H -3.306997 2.892686 0.689946
H -4.372725 0.699694 -0.179684
H -3.369505 -0.783400 -0.162725
H 1.617170 4.110640 0.780068
H 0.740512 2.580447 1.005063
H 1.942699 0.577094 2.124936
H 3.618881 0.762477 2.678735
H -1.780088 3.864646 -1.065632
H -0.799137 2.382912 -1.081940
H -1.858242 0.166190 -1.933774
H -3.539695 0.170970 -2.506724
H 3.681877 3.112531 1.793248
H 2.306989 2.906508 2.890162
H -3.757535 2.606176 -1.948983
H -2.356344 2.345175 -3.000079


%chk=000201763-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201763

0 1
O 0.960073 -3.993070 0.605500
O 1.608389 -1.208730 -0.590682
O -1.572934 -1.206166 0.607962
O 0.519730 0.526788 -1.761396
O -0.545859 0.595888 1.731042
N 2.381753 0.949699 -0.392157
N -2.415827 0.924147 0.348900
C -0.004290 -2.976204 -0.002828
C -0.938693 -4.124110 -0.503435
C 0.028771 -5.116470 0.200291
C 0.632303 -2.169449 -1.132491
C -0.537802 -2.116129 1.146462
C 2.326232 2.412940 -0.607124
C 3.332967 0.501755 0.652743
C -2.404592 2.393478 0.529452
C -3.338256 0.428519 -0.698680
C 1.995598 3.142574 0.716394
C 3.014790 1.196951 1.999084
C -2.071593 3.100700 -0.805673
C -3.015769 1.097191 -2.057363
C 2.989751 2.735732 1.831402
C -3.034293 2.640012 -1.927522
C 1.434627 0.146551 -0.971621
C -1.443647 0.165690 0.950584
H -0.978796 -4.224982 -1.600702
H -1.964218 -4.082565 -0.105576
H 0.547285 -5.840985 -0.451737
H -0.377410 -5.631840 1.089443
H -0.143021 -1.616898 -1.695667
H 1.182232 -2.849104 -1.807121
H 0.274827 -1.527899 1.604998
H -1.014139 -2.754688 1.910386
H 1.571698 2.616141 -1.383424
H 3.315637 2.746137 -0.984196
H 4.358217 0.773601 0.324450
H 3.275353 -0.591946 0.739599
H -1.668813 2.636122 1.312248
H -3.408964 2.707257 0.882701
H -4.375262 0.682591 -0.393586
H -3.253126 -0.665278 -0.756925
H 2.023369 4.236256 0.545305
H 0.969166 2.869018 1.026233
H 2.026913 0.849182 2.355325
H 3.774123 0.897673 2.746999
H -2.132635 4.196842 -0.661907
H -1.032506 2.849411 -1.091298
H -2.012525 0.768134 -2.387619
H -3.754511 0.760687 -2.810424
H 4.007203 3.097847 1.570315
H 2.711243 3.219415 2.786332
H -4.065497 2.981284 -1.693996
H -2.750871 3.107095 -2.889200


