%chk=000231679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231679

0 1
O 0.772678 2.454510 0.707054
O 1.084340 -2.248875 1.426466
O 3.789563 -0.108090 -1.567317
N 2.236759 1.177336 -0.446473
N 2.415073 -1.188937 -0.064040
C -0.912884 -0.152731 0.497082
C -1.817142 1.031195 0.880292
C -0.886117 -0.442726 -1.014023
C 0.544030 0.071078 1.039197
C -3.235963 0.567542 1.233969
C -2.260691 -0.381651 -1.697153
C -4.075046 0.162179 0.015917
C -3.425260 -0.921155 -0.856038
C 1.145566 1.331595 0.459449
C 1.328117 -1.211064 0.856041
C 2.884763 -0.045590 -0.765756
H -1.292190 -1.072428 1.020040
H -1.849557 1.774337 0.058925
H -1.392161 1.588111 1.739817
H -0.448866 -1.448934 -1.177036
H -0.213223 0.265984 -1.535230
H 0.451521 0.237793 2.154553
H -3.757307 1.386120 1.770772
H -3.189347 -0.274518 1.952571
H -2.202670 -0.950054 -2.647265
H -2.476316 0.664846 -1.993793
H -4.287656 1.057167 -0.601829
H -5.062841 -0.198464 0.366484
H -3.090244 -1.768713 -0.228882
H -4.194435 -1.342532 -1.533763
H 2.613882 2.029372 -0.893576
H 2.920422 -2.074302 -0.233555


%chk=000231679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231679

0 1
O 0.860629 2.530373 0.667047
O 1.059855 -2.233978 1.508185
O 3.898128 -0.191735 -1.561041
N 2.298564 1.129755 -0.480947
N 2.430086 -1.190678 -0.039127
C -0.897932 -0.100741 0.491854
C -1.844214 1.053582 0.924762
C -0.896112 -0.404437 -1.032915
C 0.582921 0.117729 1.028631
C -3.275097 0.548754 1.247465
C -2.287164 -0.370089 -1.723403
C -4.127906 0.103436 0.035883
C -3.475380 -0.942214 -0.904854
C 1.236604 1.355607 0.421094
C 1.362592 -1.187431 0.879224
C 2.937631 -0.092590 -0.758795
H -1.227603 -1.015267 1.025637
H -1.874749 1.844156 0.151164
H -1.435031 1.541253 1.829375
H -0.444059 -1.405323 -1.186249
H -0.241584 0.319825 -1.560151
H 0.482917 0.306382 2.113839
H -3.822103 1.354119 1.777699
H -3.193634 -0.294154 1.965428
H -2.195600 -0.921587 -2.679780
H -2.535625 0.674519 -1.998437
H -4.386233 0.994784 -0.573335
H -5.087653 -0.299696 0.417860
H -3.157509 -1.835968 -0.329535
H -4.251116 -1.294620 -1.612998
H 2.703011 1.954392 -0.937243
H 2.920164 -2.079759 -0.183438


