%chk=000295786.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295786

0 1
S -1.819452 1.935736 0.060488
O 4.705101 1.889191 -0.168511
O 4.533138 -0.359982 -0.128425
N 2.005279 -1.393637 0.077646
N 0.232337 0.212740 0.085678
N 0.731260 2.597228 -0.044714
C 1.591653 -0.083324 0.041734
C 2.547094 0.987070 -0.050098
C -4.109296 0.669672 0.040505
C -2.662135 0.321781 0.143830
C 1.166451 -2.562022 0.147668
C -0.122965 1.514443 0.033345
C 2.045473 2.313176 -0.083129
C -4.734895 0.721297 -1.215871
C -4.853343 0.946630 1.199025
C 1.632116 -3.712877 -0.520781
C -0.025928 -2.596280 0.886061
C 3.976738 0.729678 -0.115201
C -6.091190 1.043167 -1.308696
C -6.209334 1.268023 1.098748
C 0.888990 -4.890639 -0.447096
C -0.757028 -3.786162 0.942535
C -6.830613 1.316194 -0.153300
C -0.306028 -4.931387 0.280845
C 6.171262 1.741810 -0.239945
C 6.667859 3.169452 -0.280319
H -2.406751 -0.203335 1.085476
H -2.314651 -0.347373 -0.671322
H 3.033199 -1.572351 -0.012158
H 2.744275 3.164449 -0.145688
H -4.163201 0.514479 -2.119729
H -4.374773 0.915581 2.176763
H 2.557418 -3.687525 -1.094291
H -0.383401 -1.708157 1.408631
H -6.572639 1.082931 -2.284814
H -6.782793 1.483219 1.999252
H 1.242133 -5.783565 -0.962853
H -1.685650 -3.817765 1.512352
H -7.886930 1.567211 -0.228622
H -0.881355 -5.853575 0.331270
H 6.402847 1.162989 -1.150503
H 6.493084 1.182703 0.655481
H 6.355315 3.730478 0.611706
H 6.267895 3.711306 -1.148921
H 7.762834 3.206623 -0.335054


%chk=000295786-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295786

0 1
S -1.854176 2.220655 -0.067458
O 4.783927 1.875150 -0.183511
O 4.449020 -0.426123 -0.093199
N 1.900670 -1.281597 -0.009345
N 0.185427 0.382870 -0.041238
N 0.757964 2.760940 -0.142569
C 1.516433 0.034787 -0.053340
C 2.534254 1.073579 -0.112523
C -4.232452 0.741952 0.067037
C -2.740564 0.520912 0.017309
C 1.149477 -2.485864 0.052941
C -0.119329 1.702281 -0.084620
C 2.070033 2.412971 -0.155128
C -4.992910 0.813461 -1.129075
C -4.899328 0.882983 1.311769
C 1.908656 -3.690365 0.090762
C -0.269113 -2.555003 0.078737
C 3.967135 0.754725 -0.127613
C -6.390098 1.015910 -1.082569
C -6.296346 1.085159 1.360902
C 1.261795 -4.939306 0.153278
C -0.902743 -3.814977 0.141497
C -7.046014 1.151784 0.163215
C -0.151340 -5.011434 0.179326
C 6.259253 1.617862 -0.202410
C 6.939212 2.981484 -0.243132
H -2.353863 0.019281 0.917877
H -2.421102 -0.037092 -0.876472
H 2.936660 -1.384283 -0.024869
H 2.794003 3.231187 -0.200939
H -4.486556 0.711254 -2.096522
H -4.320158 0.835442 2.241808
H 3.004486 -3.640495 0.071227
H -0.842740 -1.629788 0.049245
H -6.965214 1.066736 -2.013778
H -6.798782 1.189957 2.328931
H 1.860917 -5.856043 0.181922
H -1.997801 -3.858231 0.160933
H -8.129921 1.307921 0.200339
H -0.655299 -5.982436 0.228295
H 6.489141 0.999550 -1.088652
H 6.519495 1.037597 0.700940
H 6.675337 3.581876 0.644042
H 6.645718 3.543735 -1.145877
H 8.036236 2.848338 -0.258496


