%chk=000211719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211719

0 1
S 1.875320 -1.563360 -1.041338
S -0.778065 -2.917411 -0.787052
O 0.376689 1.924989 -0.331984
N -0.308657 -0.283874 -0.503028
C 2.061611 0.241222 -0.843788
C 3.052032 0.561940 0.269857
C 4.496057 0.235445 -0.130775
C 0.675033 0.776939 -0.529470
C 5.480600 0.646358 0.974088
C 0.121487 -1.582513 -0.751445
C -1.709132 0.006028 -0.217300
C 6.921684 0.323549 0.588111
C -2.475921 0.684146 -1.175722
C -2.259213 -0.389511 1.011001
C -4.382854 0.580859 0.329702
C -3.812387 0.969550 -0.893874
C -3.597837 -0.100165 1.275787
C -5.818733 0.873827 0.616788
H 2.407437 0.677529 -1.816444
H 2.785410 0.020843 1.201948
H 2.969233 1.644124 0.523019
H 4.604226 -0.848072 -0.337501
H 4.759548 0.751349 -1.074633
H 5.223357 0.130103 1.920325
H 5.384148 1.730026 1.184107
H 7.225556 0.849120 -0.324469
H 7.063892 -0.749061 0.411462
H 7.618576 0.618120 1.381553
H -2.036070 0.988115 -2.124651
H -1.654868 -0.921298 1.745427
H -4.414896 1.496718 -1.632210
H -4.035247 -0.408422 2.224378
H -6.009035 1.023464 1.688256
H -6.173723 1.776373 0.101102
H -6.457956 0.040050 0.287670


%chk=000211719-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211719

0 1
S 1.917106 -1.687046 -1.094742
S -0.817289 -3.059030 -0.775373
O 0.367947 1.917531 -0.440810
N -0.316869 -0.344533 -0.533238
C 2.059878 0.200602 -0.894280
C 3.054163 0.607889 0.214916
C 4.517864 0.252954 -0.122298
C 0.643342 0.706615 -0.608851
C 5.499518 0.679443 0.992979
C 0.120909 -1.665763 -0.766758
C -1.706306 -0.035854 -0.235206
C 6.968426 0.348304 0.652840
C -2.463356 0.719692 -1.154015
C -2.276485 -0.469477 0.980310
C -4.405548 0.605398 0.359052
C -3.803943 1.037218 -0.850863
C -3.618374 -0.148181 1.268630
C -5.859068 0.920884 0.663535
H 2.388312 0.607660 -1.867827
H 2.754650 0.127773 1.166551
H 2.955402 1.702897 0.354676
H 4.610679 -0.839953 -0.290574
H 4.806898 0.746346 -1.073874
H 5.215722 0.177384 1.939901
H 5.396364 1.768690 1.173709
H 7.289198 0.866608 -0.270349
H 7.104064 -0.737834 0.492711
H 7.649212 0.657029 1.466834
H -2.008222 1.060510 -2.089148
H -1.678504 -1.052181 1.687543
H -4.390018 1.628830 -1.563654
H -4.060347 -0.485549 2.213445
H -6.033014 1.023225 1.749029
H -6.182279 1.856375 0.174654
H -6.522730 0.112642 0.299442


