%chk=000253862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253862

0 1
S 1.008578 -2.196489 -0.009502
O -4.810109 -2.076970 -0.009303
O -4.712702 2.544290 0.007324
N -2.671040 1.483477 0.003433
N -4.766659 0.228541 -0.001089
N -1.717473 -1.972342 -0.008847
N -0.612829 0.043305 -0.001598
C -2.697088 -0.960547 -0.005330
C -1.987535 0.273056 -0.000832
C -4.136638 -1.067235 -0.005877
C -4.104242 1.491653 0.003567
C -0.494224 -1.325066 -0.006455
C 3.605842 -1.546312 -0.009127
C 2.247833 -0.856993 -0.004430
C -1.926504 2.765849 0.008350
C -6.255142 0.288334 -0.000845
C 4.700920 -0.508633 -0.003830
C 5.208897 -0.014961 -1.214628
C 5.210996 -0.029537 1.211930
C 6.222602 0.947002 -1.206469
C 6.224698 0.932463 1.213573
C 6.732666 1.421984 0.006008
H -1.919572 -2.958755 -0.012369
H 3.715008 -2.207735 -0.896605
H 3.716103 -2.217875 0.870564
H 2.109716 -0.209365 0.885332
H 2.107945 -0.200880 -0.887693
H -1.285415 2.832094 0.905416
H -2.634923 3.616957 0.010209
H -1.283334 2.837705 -0.886799
H -6.673361 -0.736274 -0.004305
H -6.618575 0.825871 -0.893751
H -6.618535 0.819826 0.895691
H 4.815242 -0.378801 -2.161709
H 4.818974 -0.404724 2.155254
H 6.615819 1.327479 -2.148162
H 6.619551 1.301601 2.159086
H 7.522410 2.170511 0.009822


%chk=000253862-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253862

0 1
S 0.963157 -2.447471 -0.013987
O -4.916679 -2.067067 -0.009922
O -4.563184 2.646527 0.010174
N -2.562542 1.416575 0.004070
N -4.713615 0.306953 0.000194
N -1.805099 -2.054650 -0.011286
N -0.610738 -0.112432 -0.003227
C -2.741893 -1.008357 -0.006286
C -1.974445 0.163047 -0.001526
C -4.176224 -1.034630 -0.005764
C -3.978049 1.525501 0.005085
C -0.546503 -1.472709 -0.009226
C 3.649470 -1.624951 -0.009264
C 2.226940 -1.023645 -0.007752
C -1.736796 2.638678 0.009003
C -6.187046 0.455878 0.001444
C 4.686413 -0.507301 -0.003579
C 5.166178 0.040740 -1.220990
C 5.163180 0.031220 1.219245
C 6.100388 1.101061 -1.218049
C 6.097376 1.091530 1.226856
C 6.568500 1.630576 0.007062
H -2.037774 -3.047676 -0.015567
H 3.778321 -2.262442 -0.903953
H 3.776833 -2.270171 0.880093
H 2.031187 -0.416848 0.889344
H 2.032140 -0.409814 -0.900259
H -1.094669 2.659289 0.905508
H -2.420696 3.499706 0.011866
H -1.093798 2.665799 -0.886686
H -6.617770 -0.556203 -0.002409
H -6.511837 1.018209 -0.889216
H -6.511020 1.011110 0.896835
H 4.811858 -0.370299 -2.174987
H 4.806538 -0.387227 2.169147
H 6.465103 1.510005 -2.167104
H 6.459751 1.493065 2.179964
H 7.294944 2.450929 0.011154


