%chk=000265312.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265312

0 1
S -5.951350 -0.425473 1.151242
O 1.176660 -3.552436 -1.117526
O -2.031189 0.019467 -0.939648
O -0.043931 -3.182917 0.714084
N -3.228898 -0.030413 1.027058
N -4.728627 1.268387 -0.416156
C 0.551142 -0.239606 0.379541
C 3.197706 1.197341 0.247988
C 0.700932 1.167449 -0.243229
C 1.680683 -0.474927 1.412040
C 2.101457 1.416000 -0.813708
C 3.072670 -0.229782 0.818591
C 4.630456 1.492165 -0.307007
C -0.808365 -0.338957 1.133816
C 0.601862 -1.305584 -0.744385
C 5.664912 1.318913 0.825302
C 4.993108 0.551382 -1.469680
C 4.699236 2.953420 -0.798351
C -2.013270 -0.089316 0.262535
C 0.507315 -2.709531 -0.256928
C -4.463282 0.363844 0.505633
C -6.919042 0.561967 0.092938
C -6.116881 1.366412 -0.659889
H 3.016029 1.918808 1.082796
H -0.057857 1.310048 -1.042059
H 0.472576 1.934169 0.521455
H 1.533053 0.196801 2.279959
H 1.621821 -1.503025 1.818838
H 2.153686 2.449915 -1.207415
H 2.279302 0.755125 -1.684349
H 3.287702 -0.975193 0.028926
H 3.836917 -0.394286 1.602764
H -0.883940 -1.363722 1.581677
H -0.795939 0.362778 1.992057
H 1.529086 -1.168193 -1.348515
H -0.229940 -1.116720 -1.473796
H 5.437662 1.962148 1.680745
H 6.672419 1.576815 0.482695
H 5.702601 0.286308 1.186958
H 5.997517 0.761622 -1.851741
H 4.976202 -0.498602 -1.160504
H 4.297772 0.659732 -2.308351
H 4.435676 3.658887 -0.004541
H 5.707679 3.208918 -1.139802
H 4.020398 3.132132 -1.638730
H -3.220661 -0.294833 2.015497
H 1.111934 -4.507501 -0.849863
H -7.992550 0.493987 0.089298
H -6.430448 2.081979 -1.416959


%chk=000265312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000265312

0 1
S -4.947910 -1.707705 -0.524846
O 0.803385 -3.148107 0.241760
O -2.352097 2.133744 0.803670
O -1.327642 -2.513868 0.849056
N -2.922048 -0.156316 0.638631
N -4.861225 0.980080 -0.320103
C 0.434604 0.245386 0.765189
C 3.300911 1.165412 0.152020
C 0.761013 1.562902 -0.000078
C 1.661383 -0.131233 1.648961
C 2.103287 1.524543 -0.769487
C 3.001601 -0.176259 0.875831
C 4.702953 1.204446 -0.572084
C -0.795624 0.466994 1.713886
C 0.140087 -0.883063 -0.295561
C 5.832221 0.902890 0.454374
C 4.796073 0.175019 -1.731700
C 4.954420 2.628510 -1.144170
C -2.086975 0.922603 1.015835
C -0.224661 -2.215013 0.310945
C -4.152397 -0.085105 -0.007204
C -6.292593 -0.706215 -1.176179
C -6.054133 0.640583 -0.972080
H 3.346639 1.952613 0.941035
H -0.067119 1.819042 -0.687409
H 0.797895 2.382052 0.746059
H 1.742374 0.629810 2.452677
H 1.487061 -1.103066 2.153465
H 2.257272 2.516132 -1.232890
H 2.041889 0.799576 -1.606037
H 2.986977 -1.009763 0.146434
H 3.805175 -0.409926 1.598153
H -0.975917 -0.446733 2.310361
H -0.527064 1.278079 2.413471
H 1.020628 -1.019937 -0.939702
H -0.705158 -0.555596 -0.928394
H 5.754587 1.564953 1.338455
H 6.823289 1.070703 -0.007480
H 5.806153 -0.143789 0.806966
H 5.796859 0.222963 -2.201057
H 4.647445 -0.860739 -1.374831
H 4.050985 0.377053 -2.522883
H 4.857258 3.397914 -0.354146
H 5.976765 2.699183 -1.560911
H 4.249290 2.881534 -1.955841
H -2.533837 -1.103069 0.815675
H 0.510677 -4.004415 0.660505
H -7.147567 -1.183027 -1.649433
H -6.725191 1.444130 -1.277609


