%chk=000231452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231452

0 1
O -1.751180 4.124981 0.202403
O -3.124923 1.653964 1.078973
O 4.567535 -0.839094 1.019854
N -1.520264 0.635668 -0.280419
C -0.329698 1.058296 -1.101363
C -0.352356 2.606819 -1.074010
C 0.975496 0.527294 -0.553016
C -1.455676 3.017303 -0.135009
C -2.176121 1.718720 0.338175
C -1.887627 -0.748314 -0.162735
C 1.954919 0.072128 -1.443441
C 1.230805 0.506075 0.832369
C -2.898743 -1.136885 0.737930
C -1.247717 -1.718199 -0.959948
C 3.186383 -0.398619 -0.978607
C 2.443221 0.040876 1.320667
C 3.417509 -0.410581 0.402774
C -3.260366 -2.480777 0.830395
C -1.624718 -3.058161 -0.849698
C -2.629175 -3.447010 0.040510
C 5.642451 -1.338377 0.186591
H -0.487930 0.694938 -2.151701
H -0.516803 3.033094 -2.082670
H 0.620696 3.029449 -0.745513
H 1.767775 0.082300 -2.517991
H 0.466061 0.851829 1.531005
H -3.408067 -0.396230 1.363446
H -0.456760 -1.449035 -1.654353
H 3.934308 -0.745895 -1.683008
H 2.658637 0.011494 2.387391
H -4.044487 -2.776034 1.528343
H -1.126540 -3.806000 -1.466292
H -2.917174 -4.492276 0.119701
H 6.006857 -0.549569 -0.477321
H 5.315344 -2.223336 -0.366464
H 6.400529 -1.602138 0.936633


%chk=000231452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231452

0 1
O -1.440245 4.096345 0.399293
O -3.002073 1.725202 1.280453
O 4.758838 -0.744263 1.038365
N -1.511250 0.595917 -0.223920
C -0.332246 0.944958 -1.085429
C -0.377575 2.498973 -1.183701
C 1.000898 0.439557 -0.526098
C -1.290471 2.941657 -0.050550
C -2.056640 1.705612 0.447628
C -1.980007 -0.754530 -0.133107
C 2.032630 0.068822 -1.417652
C 1.260245 0.395955 0.868417
C -3.130995 -1.082689 0.640276
C -1.304945 -1.788059 -0.842028
C 3.304458 -0.330713 -0.948231
C 2.517416 -0.001899 1.354001
C 3.546852 -0.364231 0.447818
C -3.588769 -2.415308 0.683966
C -1.778057 -3.114413 -0.787230
C -2.923739 -3.439970 -0.026870
C 5.857685 -1.129058 0.148040
H -0.488410 0.500965 -2.086287
H -0.828178 2.823514 -2.141344
H 0.618364 2.961808 -1.106356
H 1.849610 0.091099 -2.500115
H 0.472079 0.658948 1.582778
H -3.647987 -0.298975 1.195783
H -0.399837 -1.576083 -1.415507
H 4.080989 -0.612422 -1.665416
H 2.726163 -0.044426 2.427085
H -4.475646 -2.649962 1.282859
H -1.242219 -3.895882 -1.337178
H -3.286830 -4.472284 0.014996
H 6.150440 -0.291536 -0.514630
H 5.588887 -2.012159 -0.463667
H 6.692770 -1.381773 0.817160


