%chk=000189952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189952

0 1
O -0.563095 2.399160 0.380147
O 1.210721 0.135653 0.677178
O 2.055832 -1.433687 -0.807583
N 3.433369 -0.026566 0.470403
C -2.325962 0.919049 -0.057314
C -2.008640 -1.503072 -0.146073
C -0.937938 1.083768 0.197445
C -0.126399 -0.060052 0.297412
C -2.838191 -0.368256 -0.220598
C -0.644612 -1.346477 0.113903
C -3.211119 2.116736 -0.138169
C -2.594809 -2.863163 -0.341043
C 0.842227 2.718612 0.230769
C 2.230104 -0.575157 0.021924
C 4.670329 -0.813061 0.261775
H -3.901655 -0.497089 -0.416723
H 0.023460 -2.206997 0.157848
H -2.637858 3.028222 -0.377224
H -3.991060 2.006927 -0.901613
H -3.707516 2.300356 0.826212
H -1.833997 -3.655303 -0.341971
H -3.312808 -3.103852 0.455856
H -3.130437 -2.934329 -1.298530
H 1.225678 2.346525 -0.722728
H 1.403460 2.301334 1.073983
H 0.826248 3.814037 0.258875
H 3.415904 0.567030 1.299562
H 4.888338 -1.494784 1.100174
H 5.516956 -0.116206 0.133365
H 4.591968 -1.421060 -0.661661


%chk=000189952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189952

0 1
O -0.488666 2.351593 0.454565
O 1.171752 -0.047127 0.953314
O 2.152109 -0.479826 -1.173848
N 3.401686 -0.420635 0.822364
C -2.323578 0.903702 -0.054773
C -2.079550 -1.565482 -0.108343
C -0.940769 1.034145 0.278076
C -0.166588 -0.139279 0.450449
C -2.861935 -0.386896 -0.238733
C -0.722626 -1.418864 0.246351
C -3.171710 2.149380 -0.210564
C -2.693002 -2.937307 -0.329617
C 0.904528 2.691740 0.109446
C 2.256240 -0.345818 0.066603
C 4.714249 -0.679340 0.225249
H -3.923076 -0.476578 -0.503831
H -0.080398 -2.296254 0.380803
H -2.729597 2.840632 -0.950724
H -4.194944 1.891051 -0.532439
H -3.233273 2.712998 0.738581
H -1.940096 -3.737589 -0.228186
H -3.500878 -3.141104 0.398801
H -3.136850 -3.020699 -1.339496
H 1.211968 2.195385 -0.829604
H 1.593784 2.414144 0.924690
H 0.900423 3.784879 -0.026000
H 3.301611 -0.315870 1.832436
H 5.147272 -1.624679 0.601349
H 5.419654 0.146011 0.433549
H 4.580758 -0.764015 -0.864865


