%chk=000298511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298511

0 1
O 0.555334 1.138105 -2.018772
O 0.607758 -2.151815 1.152962
O 1.839429 1.235115 1.547688
N 0.657456 -0.382133 -0.303469
N 2.598166 0.545779 0.838428
C 2.089234 -0.304454 -0.162819
C 0.023232 0.726974 -1.018111
C -0.015338 -1.441490 0.397228
C 2.955618 -1.049126 -0.969701
C 4.850024 -0.124212 0.208902
C -1.218730 1.270235 -0.406152
C -1.457068 -1.634212 0.056036
C 3.970506 0.621408 1.005656
C 4.334531 -0.963752 -0.790764
C 6.318057 -0.026083 0.440873
C -1.207329 1.672811 0.937211
C -1.836186 -1.959034 -1.253562
C -2.364989 1.442946 -1.195205
C -2.413549 -1.553147 1.076634
C -2.356297 2.240044 1.493798
C -3.182632 -2.195645 -1.541690
C -3.511671 2.003184 -0.627542
C -3.759515 -1.784684 0.778321
C -3.506813 2.400952 0.714606
C -4.143190 -2.105521 -0.527862
H 2.529977 -1.694930 -1.742816
H 4.330152 1.289831 1.795120
H 5.003721 -1.546509 -1.420619
H 6.887839 -0.041257 -0.500107
H 6.608230 0.890299 0.974769
H 6.673917 -0.875877 1.046639
H -0.293759 1.552096 1.537745
H -1.085840 -2.031049 -2.041154
H -2.357724 1.141604 -2.243132
H -2.107110 -1.310780 2.095616
H -2.351086 2.560242 2.535034
H -3.483583 -2.452562 -2.556360
H -4.407547 2.135166 -1.231825
H -4.508300 -1.717579 1.566589
H -4.402034 2.841929 1.152495
H -5.192789 -2.288668 -0.756487


%chk=000298511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298511

0 1
O 0.353970 0.916653 -2.062526
O 0.382238 -2.040768 1.549820
O 1.791458 1.956339 0.279947
N 0.588221 -0.393854 -0.109130
N 2.578722 0.875698 0.158040
C 2.002310 -0.384380 -0.043753
C -0.044524 0.700324 -0.892436
C -0.142033 -1.410607 0.585973
C 2.827485 -1.516970 -0.139819
C 4.810564 -0.108625 0.123742
C -1.185342 1.412415 -0.248779
C -1.509645 -1.746873 0.075696
C 3.960158 1.001524 0.212771
C 4.224854 -1.394211 -0.048156
C 6.312663 0.074455 0.206834
C -1.326213 1.503278 1.159573
C -1.836593 -1.705930 -1.305241
C -2.118056 2.067773 -1.093183
C -2.462038 -2.233250 1.008562
C -2.403459 2.223965 1.713846
C -3.111363 -2.128619 -1.739810
C -3.196384 2.783773 -0.536665
C -3.738546 -2.638610 0.572707
C -3.343820 2.860423 0.869017
C -4.067231 -2.585702 -0.803807
H 2.353521 -2.491190 -0.276081
H 4.303829 2.028604 0.343373
H 4.859248 -2.282763 -0.120176
H 6.807026 -0.295651 -0.710136
H 6.588875 1.134286 0.335812
H 6.732905 -0.492071 1.058077
H -0.575786 1.046590 1.811700
H -1.096634 -1.371728 -2.039745
H -1.977741 2.007717 -2.177586
H -2.181031 -2.291063 2.065171
H -2.504026 2.301704 2.801782
H -3.355426 -2.104729 -2.807276
H -3.918558 3.282768 -1.191925
H -4.474845 -2.999734 1.298760
H -4.180395 3.419683 1.303111
H -5.058255 -2.906442 -1.143884


