%chk=000289724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289724

0 1
S 1.809229 -1.721065 -0.144116
O 1.954331 -2.326440 -1.466344
O 1.755227 -2.577165 1.037297
O -5.977113 0.871119 0.344730
N -3.086976 1.671047 -0.289692
N -2.016568 0.685073 -2.694265
N 6.228429 2.149428 0.622288
C 0.381241 -0.742206 -0.168150
C -1.971345 0.816959 -0.224039
C 3.104898 -0.600565 0.076899
C -1.354467 0.377192 -1.446014
C -0.198708 -0.399486 -1.396296
C -0.211730 -0.319576 1.019899
C -1.371768 0.453725 1.000183
C -3.936422 1.870353 0.907723
C -4.845502 0.671287 1.220153
C 3.595494 -0.338817 1.362383
C 3.696496 0.020504 -1.029859
C 4.643692 0.552390 1.558184
C 4.746457 0.916831 -0.868432
C 5.223137 1.195320 0.436406
C -6.859264 -0.279284 0.251723
C -7.942421 0.171776 -0.711813
H 0.255935 -0.766292 -2.324665
H 0.221840 -0.606817 1.983363
H -1.815873 0.771838 1.940126
H -4.578179 2.765280 0.705532
H -3.306501 2.120617 1.789347
H -3.649878 1.584968 -1.149565
H -5.202757 0.686420 2.264523
H -4.360198 -0.297299 1.007765
H 3.155690 -0.853354 2.225914
H 3.337049 -0.211249 -2.039300
H 5.011376 0.753212 2.559384
H 5.193198 1.397854 -1.732589
H -1.877921 1.660537 -2.953192
H -1.678172 0.104444 -3.457179
H -6.284227 -1.140247 -0.132181
H -7.255013 -0.507057 1.256365
H 6.711787 2.182755 1.504711
H 6.783037 2.433738 -0.168230
H -8.693067 -0.610004 -0.866931
H -8.452506 1.070709 -0.340032
H -7.515466 0.436250 -1.689012


%chk=000289724-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289724

0 1
S 1.759223 -1.703760 -0.196065
O 1.883627 -2.309860 -1.718312
O 1.676527 -2.648060 1.144163
O -6.002822 0.796589 0.195013
N -3.278320 1.716296 -0.287166
N -1.974825 1.142067 -2.635456
N 6.641422 1.832715 0.584045
C 0.233139 -0.600674 -0.183791
C -2.103240 0.944442 -0.199449
C 3.246585 -0.577049 0.045356
C -1.422941 0.648177 -1.437540
C -0.256291 -0.146346 -1.420394
C -0.380048 -0.313546 1.041952
C -1.556845 0.469085 1.021066
C -4.090082 2.060691 0.887020
C -5.056731 0.939807 1.308496
C 3.702400 -0.334644 1.352681
C 3.903170 -0.071919 -1.089928
C 4.838159 0.475237 1.532573
C 5.039250 0.737474 -0.908625
C 5.518455 1.029320 0.405124
C -6.918006 -0.343833 0.361481
C -7.834276 -0.383340 -0.860795
H 0.262672 -0.420090 -2.346318
H 0.015258 -0.727307 1.974444
H -2.066210 0.676356 1.966784
H -4.696355 2.951362 0.638861
H -3.429302 2.337582 1.726540
H -3.841848 1.537163 -1.126591
H -5.594838 1.215998 2.242889
H -4.512632 -0.014408 1.478172
H 3.191500 -0.797619 2.203631
H 3.543753 -0.334768 -2.090505
H 5.211059 0.674726 2.544088
H 5.567713 1.139247 -1.781207
H -2.422656 2.059099 -2.615003
H -1.536605 0.874829 -3.514803
H -6.329353 -1.283386 0.451010
H -7.506219 -0.216178 1.297427
H 6.999096 2.029489 1.514165
H 7.141370 2.215530 -0.212995
H -8.546822 -1.224266 -0.780846
H -8.408044 0.555742 -0.944860
H -7.242564 -0.513268 -1.783330


