%chk=000192375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192375

0 1
O 5.089783 0.513762 -0.482405
O -3.064659 -0.340086 -1.519769
O -5.417773 -0.261595 1.064277
N -3.538595 0.090102 -0.269683
N -5.667697 -0.630070 -1.193667
C -0.902494 1.392709 -0.071766
C 0.518068 1.886133 0.233488
C -1.192280 0.050151 0.536443
C 1.551699 0.796175 0.161848
C 1.180981 -0.543010 0.456057
C -0.217226 -0.849033 0.763355
C -2.629221 -0.256350 0.865958
C 2.874631 1.102351 -0.145026
C 2.153441 -1.549789 0.438241
C 3.828331 0.064173 -0.159633
C 3.486785 -1.261623 0.129881
C -4.935044 -0.292934 -0.054311
C 6.163420 -0.456285 -0.529481
H -1.058497 1.308342 -1.172764
H -1.642464 2.147891 0.263050
H 0.551663 2.322632 1.256942
H 0.772597 2.718004 -0.453936
H -0.416764 -1.831874 1.186114
H -2.966681 0.381411 1.727678
H -2.758825 -1.309335 1.205505
H 3.192181 2.116570 -0.373862
H 1.873213 -2.578565 0.665480
H 4.223610 -2.055620 0.119935
H -2.676837 -1.270628 -1.437821
H 5.964896 -1.205781 -1.300772
H 6.308526 -0.910674 0.454679
H 7.021283 0.171885 -0.802978
H -6.676768 -0.612353 -1.122840
H -5.290483 -0.440087 -2.114216


%chk=000192375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000192375

0 1
O 4.954475 0.771808 -0.680571
O -3.204297 -1.437720 -1.239102
O -4.756505 1.168685 0.709217
N -3.680140 -0.785533 -0.001446
N -4.915359 0.515619 -1.538697
C -1.164491 1.010948 0.001441
C 0.196945 1.680565 0.302715
C -1.302629 -0.328895 0.715168
C 1.366139 0.712507 0.173757
C 1.155960 -0.653677 0.554488
C -0.192060 -1.092790 0.944634
C -2.688430 -0.801680 1.107356
C 2.642344 1.135385 -0.229519
C 2.256343 -1.543893 0.536268
C 3.731637 0.225213 -0.255468
C 3.543753 -1.123108 0.134365
C -4.468251 0.376188 -0.239090
C 6.114927 -0.119508 -0.720190
H -1.267854 0.835690 -1.091209
H -1.987385 1.691110 0.290498
H 0.177696 2.060356 1.346775
H 0.345352 2.559560 -0.350827
H -0.292971 -2.086861 1.402998
H -3.141174 -0.133740 1.865808
H -2.647754 -1.823071 1.529014
H 2.826940 2.174401 -0.523119
H 2.104680 -2.589427 0.832162
H 4.371372 -1.838311 0.127071
H -3.526821 -2.375115 -1.153253
H 5.953591 -0.960946 -1.422315
H 6.352100 -0.517974 0.285805
H 6.946507 0.506230 -1.076386
H -5.534606 1.294511 -1.743129
H -4.567235 -0.099932 -2.271217


