%chk=000195550.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195550

0 1
O 5.017125 -2.086309 1.458098
O 1.034986 -1.431815 1.408699
O -2.707265 0.882019 -0.480586
O -6.495845 -1.549475 -1.008775
N 2.244373 -0.342590 -0.187621
N 3.067432 -3.167548 1.010850
N -1.266842 -0.240743 0.886097
N -4.958796 -0.454087 0.318014
N -0.978982 3.195237 -0.709023
N 0.560606 4.809699 -1.120801
C 3.601451 -1.001643 -0.111529
C 3.925703 0.344493 -1.636508
C 4.540897 0.260109 -0.200839
C 3.902624 -1.222595 -1.641381
C 2.436626 0.672989 -1.303148
C 3.936632 -2.087848 0.889988
C 1.125340 -0.529095 0.576579
C -0.063019 0.431497 0.340871
C 0.193025 1.783707 1.048514
C -2.529765 0.032993 0.384350
C -3.692308 -0.754811 1.018837
C 0.131869 2.926775 0.107710
C -3.519834 -2.296222 0.922447
C -4.741317 -2.821296 0.154152
C -5.521384 -1.596753 -0.296219
C 1.066280 3.937538 -0.159515
C -0.671653 4.350928 -1.446121
H 4.403219 0.907200 -2.428765
H 4.347218 1.080774 0.491742
H 5.610665 0.023414 -0.147912
H 3.134197 -1.721336 -2.234436
H 4.863495 -1.703925 -1.851806
H 2.288537 1.710118 -0.947739
H 1.747926 0.478218 -2.143605
H -0.218919 0.593498 -0.764102
H 3.274505 -3.844983 1.736817
H 2.073058 -3.049548 0.829736
H 1.176010 1.781053 1.570376
H -0.546165 1.934444 1.870097
H -1.095320 -0.928738 1.629602
H -3.791051 -0.429459 2.090076
H -3.461759 -2.742014 1.931452
H -2.584885 -2.576020 0.404307
H -5.384109 -3.470630 0.779588
H -4.458368 -3.434010 -0.722592
H -5.095554 0.482734 -0.060036
H -1.821831 2.624565 -0.759656
H 2.035120 4.093281 0.279483
H -1.343247 4.796405 -2.164670


%chk=000195550-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195550

0 1
O 5.291876 -2.627248 0.645458
O 0.865267 -1.585415 1.275856
O -2.749835 1.137923 -0.497250
O -6.742097 -1.756524 -0.883705
N 2.277558 -0.408943 -0.194292
N 3.179631 -2.879593 1.592616
N -1.273061 -0.307687 0.574199
N -4.896674 -0.543623 -0.046734
N -0.977944 3.271512 -0.666869
N 0.452882 5.013765 -0.886412
C 3.646232 -1.099843 -0.134874
C 3.967946 0.365554 -1.585490
C 4.582747 0.176580 -0.151936
C 3.961488 -1.202658 -1.683069
C 2.488321 0.661768 -1.252113
C 4.072638 -2.275753 0.757186
C 1.104508 -0.626554 0.446605
C -0.038477 0.386110 0.178976
C 0.195588 1.732510 0.990399
C -2.523425 0.098673 0.214148
C -3.690909 -0.741937 0.761159
C 0.119141 2.980040 0.155437
C -3.503063 -2.296579 0.735192
C -4.936051 -2.834888 0.493590
C -5.662601 -1.687528 -0.240910
C 0.989363 4.069418 0.003569
C -0.734852 4.495103 -1.271240
H 4.427275 1.006497 -2.347197
H 4.393164 0.949376 0.610779
H 5.638376 -0.128575 -0.163781
H 3.203851 -1.689902 -2.318328
H 4.959535 -1.635362 -1.839184
H 2.321839 1.674133 -0.848661
H 1.816372 0.496627 -2.113976
H -0.098627 0.630715 -0.896680
H 3.523072 -3.657577 2.157075
H 2.192312 -2.551738 1.636741
H 1.182490 1.706697 1.485190
H -0.556518 1.746125 1.802473
H -1.104698 -1.155342 1.138073
H -3.857730 -0.402749 1.808825
H -3.050179 -2.676530 1.666374
H -2.847890 -2.576047 -0.109477
H -5.470699 -3.041882 1.439620
H -4.969650 -3.751980 -0.114792
H -5.115844 0.362537 -0.464168
H -1.785933 2.627231 -0.768123
H 1.949623 4.239791 0.488483
H -1.425635 4.963964 -1.967665


