%chk=000238531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238531

0 1
O 1.647329 -3.202817 -0.633057
N 0.828181 -1.466761 0.682723
N -0.480759 -1.763590 0.386590
C 3.516439 -0.375214 0.401082
C 3.249101 -1.844760 0.539682
C -3.611130 -0.211824 0.012011
C -2.847652 -1.398250 0.537608
C 3.471825 0.226177 -0.866823
C 3.816617 0.399882 1.530562
C 1.851667 -2.266203 0.099302
C -4.605625 0.396496 0.790815
C -3.327901 0.287137 -1.269308
C -1.428659 -1.011919 0.865765
C 3.725272 1.592979 -0.999338
C 4.071954 1.767372 1.389792
C -5.313023 1.493161 0.288549
C -4.036737 1.383408 -1.764868
C 4.025350 2.366311 0.127650
C -5.030808 1.988496 -0.987719
H 3.984110 -2.418136 -0.076324
H 3.422893 -2.202450 1.577428
H -3.324012 -1.821155 1.448685
H -2.874533 -2.228146 -0.208693
H 3.239322 -0.373581 -1.746873
H 3.862109 -0.058468 2.516270
H -4.831926 0.017346 1.784907
H -2.553887 -0.184082 -1.874602
H -1.322119 -0.114692 1.487319
H 3.690046 2.057472 -1.984462
H 4.309760 2.366475 2.267958
H -6.086674 1.961356 0.894847
H -3.815791 1.766982 -2.759746
H 4.224049 3.431101 0.020699
H 1.078102 -0.632396 1.228376
H -5.582989 2.841094 -1.376807


%chk=000238531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238531

0 1
O 1.462186 -3.514086 -0.321983
N 0.871821 -1.348847 0.380118
N -0.476287 -1.649740 0.564197
C 3.524711 -0.381165 0.164178
C 3.233000 -1.824603 -0.210114
C -3.593482 -0.076334 0.240046
C -2.729501 -0.929980 1.171787
C 3.429640 0.654977 -0.803476
C 3.883427 -0.033077 1.494280
C 1.771646 -2.325340 -0.058737
C -4.545698 0.837452 0.755639
C -3.453327 -0.195449 -1.167556
C -1.252941 -0.675485 0.970232
C 3.682937 2.000589 -0.452794
C 4.137889 1.311242 1.848435
C -5.346404 1.614628 -0.113822
C -4.252419 0.577606 -2.037848
C 4.037192 2.333470 0.875605
C -5.202106 1.486800 -1.513953
H 3.502156 -2.020643 -1.264495
H 3.842748 -2.520578 0.394740
H -3.000149 -0.712473 2.223609
H -2.909766 -2.006431 0.997110
H 3.163367 0.402177 -1.837263
H 3.970051 -0.822075 2.251513
H -4.665421 0.937999 1.841758
H -2.719635 -0.901109 -1.576072
H -0.888811 0.357350 1.151528
H 3.610119 2.785284 -1.214089
H 4.419638 1.559839 2.877767
H -6.080660 2.314817 0.300639
H -4.137967 0.470888 -3.122650
H 4.238688 3.375359 1.147849
H 1.235776 -0.400664 0.563280
H -5.822518 2.086402 -2.189457


