%chk=000223938.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223938

0 1
S -1.773113 2.702204 0.445776
O -2.569350 3.468879 1.377240
O -1.244075 3.322878 -0.734102
O -5.765722 -2.534906 -0.436726
O -4.211736 -3.039751 -1.856536
N -0.461964 2.157878 1.456937
N 0.300054 1.186123 0.885321
N -4.714072 -2.318195 -1.012890
C 3.503636 -0.077685 0.318648
C 4.225394 -1.166651 -0.237447
C 2.163094 -0.309465 0.787025
C -2.616058 1.243338 0.020630
C 4.130910 1.207268 0.380673
C 3.604964 -2.453492 -0.331161
C 1.587701 -1.555991 0.673667
C 5.563553 -0.956624 -0.701381
C 2.319044 -2.638650 0.108395
C 1.417976 0.798241 1.429648
C -3.821063 0.940894 0.662718
C -2.092296 0.396010 -0.958391
C 5.413985 1.381804 -0.074569
C 6.142264 0.284616 -0.619586
C -3.980383 -1.068961 -0.653705
C -4.516262 -0.223835 0.327056
C -2.776935 -0.775417 -1.303839
H 3.570022 2.049527 0.783633
H 4.173782 -3.277410 -0.760356
H 0.568978 -1.731904 1.017179
H 6.108526 -1.801207 -1.120985
H 1.836504 -3.612769 0.035797
H -4.227472 1.616721 1.427944
H -1.143439 0.636388 -1.457581
H 1.883450 1.199814 2.340199
H 5.893776 2.358666 -0.031131
H 7.159478 0.453010 -0.970539
H -0.165351 2.666123 2.302537
H -5.462990 -0.478520 0.816709
H -2.381311 -1.453850 -2.068506


%chk=000223938-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223938

0 1
S -1.984376 2.572871 -0.175767
O -2.688794 3.745117 0.703745
O -1.531021 2.787744 -1.723388
O -6.277136 -2.581226 1.014227
O -5.350540 -3.299048 -0.942825
N -0.508057 1.991920 0.981732
N 0.303852 1.092810 0.343899
N -5.470656 -2.447078 0.017454
C 3.899270 0.025091 0.308000
C 4.712264 -1.016970 -0.294959
C 2.466935 0.019753 0.055746
C -3.044688 1.016776 -0.104580
C 4.563942 1.008041 1.116434
C 4.096116 -2.014111 -1.117856
C 1.909031 -0.989162 -0.758647
C 6.128078 -1.035777 -0.062484
C 2.716379 -1.997545 -1.346598
C 1.595616 1.045845 0.634671
C -3.921887 0.868636 0.982082
C -2.926402 0.096653 -1.158281
C 5.945093 0.963722 1.325569
C 6.738687 -0.066750 0.733104
C -4.617612 -1.224999 -0.026910
C -4.732137 -0.284523 1.020508
C -3.736594 -1.056901 -1.117259
H 3.995336 1.818216 1.583125
H 4.724707 -2.793669 -1.564096
H 0.827148 -0.980153 -0.922332
H 6.724341 -1.830417 -0.526393
H 2.251630 -2.765392 -1.973758
H -3.978475 1.636490 1.759536
H -2.237382 0.289358 -1.985927
H 2.027558 1.763105 1.354758
H 6.426141 1.726418 1.947630
H 7.819969 -0.088852 0.904767
H -0.086706 2.880141 1.350391
H -5.438398 -0.464407 1.834684
H -3.697734 -1.816627 -1.901703


