%chk=000248765.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248765

0 1
S 0.650205 -0.943892 0.393949
O 0.411871 -2.011687 1.342079
O -0.140828 0.279361 0.502733
O -5.726313 0.002021 0.622632
O -4.289589 0.990160 2.021899
N 0.366271 -1.603620 -1.173545
N -2.730863 2.025747 -0.198673
C -2.783698 -1.016092 -0.761520
C -2.071306 -1.847916 -1.833524
C -3.703165 0.047530 -1.374374
C -0.790252 -2.527783 -1.319380
C -3.960010 1.237075 -0.428026
C 2.315122 -0.522429 0.325883
C -4.603398 0.757294 0.880098
C 2.693029 0.825926 0.291513
C 3.296456 -1.520536 0.327122
C 5.029839 0.175653 0.240701
C 4.041095 1.176406 0.247057
C 4.647432 -1.176780 0.282181
C 6.473666 0.547332 0.209444
H -2.036204 -0.514917 -0.104549
H -3.362040 -1.677492 -0.087795
H -1.829828 -1.214266 -2.710526
H -2.762003 -2.623955 -2.219263
H -3.260741 0.448467 -2.310512
H -4.674761 -0.405625 -1.657009
H -0.480747 -3.322097 -2.039931
H -0.980027 -3.052421 -0.352242
H -4.711563 1.927938 -0.911644
H 0.421229 -0.952543 -1.967120
H -1.913681 1.419987 -0.035199
H -2.821832 2.620581 0.623928
H 1.924586 1.609829 0.304940
H 3.007592 -2.576252 0.367472
H 4.327896 2.226291 0.222751
H 5.405615 -1.957770 0.284620
H 7.094955 -0.211165 -0.287221
H 6.654171 1.498973 -0.310088
H 6.866425 0.662415 1.232838
H -6.177207 -0.307848 1.451702


%chk=000248765-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248765

0 1
S 0.674354 -0.499029 0.158753
O 0.216461 -1.620357 1.248189
O 0.059570 1.022742 0.183765
O -5.802449 -0.600098 0.911765
O -4.424077 0.770543 2.180864
N 0.417988 -1.319041 -1.531773
N -3.463071 2.106251 -0.210141
C -2.653061 -0.762099 -0.861479
C -2.094695 -1.736731 -1.920034
C -3.968223 -0.082930 -1.297960
C -0.702933 -2.306119 -1.556648
C -4.442290 1.023277 -0.311287
C 2.543239 -0.323854 0.214136
C -4.838729 0.417446 1.057217
C 3.094671 0.939579 -0.046843
C 3.310541 -1.451846 0.545350
C 5.325287 -0.040080 0.345188
C 4.499969 1.068121 0.020156
C 4.711696 -1.295088 0.606919
C 6.830978 0.119187 0.447703
H -1.896147 0.020179 -0.666763
H -2.798697 -1.304627 0.094064
H -2.035241 -1.225230 -2.904643
H -2.791944 -2.588635 -2.053615
H -3.822327 0.410930 -2.277492
H -4.772753 -0.833173 -1.407635
H -0.394036 -3.078824 -2.287642
H -0.724973 -2.789639 -0.559849
H -5.382987 1.439815 -0.725753
H 0.267052 -0.521078 -2.181734
H -2.532976 1.809846 0.109898
H -3.794341 2.910365 0.331634
H 2.444401 1.791314 -0.270524
H 2.830201 -2.411277 0.760500
H 4.958464 2.043406 -0.178970
H 5.336550 -2.158492 0.862516
H 7.358247 -0.804508 0.152224
H 7.196973 0.943028 -0.188791
H 7.130480 0.349074 1.488562
H -6.053773 -0.940449 1.813573


