%chk=000199143.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199143

0 1
O 5.534016 0.819411 1.253379
O 6.487891 0.603933 -0.909335
N 0.510856 -0.705311 0.692586
N -1.954480 0.784070 1.133358
N -4.065627 -0.212804 0.631547
N -3.203949 1.633961 -0.728634
N -6.148023 -1.175776 0.217385
C 0.151937 0.454963 -0.189641
C -0.727359 -1.403427 1.177400
C -0.729170 1.446111 0.595790
C -1.599927 -0.403336 1.963770
C 1.396526 -1.675625 -0.034705
C 2.743685 -1.053956 -0.321043
C -3.085355 0.702945 0.302054
C 3.426258 -0.385842 0.730850
C 3.305774 -1.173698 -1.593022
C 4.663156 0.126725 0.420694
C 5.236488 -0.002340 -0.879983
C 4.581181 -0.645926 -1.904086
C -5.239967 -0.165392 -0.093842
C 6.707774 1.138967 0.436535
C -4.380049 1.655724 -1.399952
C -5.440031 0.788364 -1.123176
C -7.567389 -1.050404 -0.171165
H -0.363576 0.150459 -1.125895
H 1.096191 0.961960 -0.489689
H -0.417595 -2.227809 1.854916
H -1.325030 -1.859086 0.358203
H -0.171709 1.852854 1.470701
H -1.005285 2.312000 -0.048922
H -2.520045 -0.905658 2.338732
H -1.046354 -0.022361 2.852887
H 0.934381 -2.067351 -0.968363
H 1.555687 -2.558743 0.630414
H 2.970960 -0.281825 1.714966
H 2.760182 -1.686422 -2.384122
H 5.010620 -0.745843 -2.896064
H 7.571316 0.617770 0.869676
H 6.775912 2.231781 0.358043
H -4.456674 2.406757 -2.197321
H -6.361356 0.836144 -1.684172
H -5.969229 -1.714438 1.066151
H -8.115029 -1.954768 0.143155
H -7.658565 -0.974071 -1.270452
H -8.060415 -0.169784 0.276190


%chk=000199143-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199143

0 1
O 5.305623 1.273708 1.484094
O 6.770171 0.830055 -0.371044
N 0.614696 -0.971743 0.260421
N -1.953662 0.285991 0.433621
N -4.250531 -0.221222 0.570672
N -3.435558 1.618090 -0.830961
N -6.510834 -0.747775 0.736529
C 0.231099 0.094618 -0.701761
C -0.574011 -1.745364 0.698210
C -0.797201 1.049700 -0.067345
C -1.612289 -0.811593 1.352487
C 1.701999 -1.840103 -0.248597
C 3.043754 -1.119981 -0.349937
C -3.252699 0.564710 0.049371
C 3.441642 -0.230952 0.692891
C 3.909830 -1.369464 -1.441704
C 4.699446 0.359214 0.582588
C 5.561121 0.099521 -0.505245
C 5.194548 -0.763253 -1.539021
C -5.535770 0.063744 0.193155
C 6.638674 1.584897 0.904456
C -4.728090 1.867732 -1.179480
C -5.833059 1.134614 -0.707514
C -7.939542 -0.615571 0.462990
H -0.202391 -0.342778 -1.636848
H 1.137204 0.662026 -0.979290
H -0.251046 -2.504782 1.435397
H -1.059014 -2.279161 -0.158804
H -0.317815 1.583715 0.778673
H -1.164280 1.785886 -0.798063
H -2.536606 -1.354747 1.600446
H -1.177466 -0.388620 2.281708
H 1.453352 -2.288386 -1.244434
H 1.795397 -2.686764 0.462131
H 2.762488 -0.023353 1.523703
H 3.584082 -2.047861 -2.238588
H 5.860339 -0.956155 -2.383890
H 7.422825 1.246629 1.604265
H 6.693836 2.666027 0.688602
H -4.875611 2.701906 -1.876060
H -6.850011 1.378605 -1.018356
H -6.170784 -1.473054 1.368771
H -8.487681 -1.386466 1.028561
H -8.168385 -0.754312 -0.612464
H -8.329187 0.374975 0.771463


