%chk=000294947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294947

0 1
S 1.736491 -0.720686 -0.082927
O -3.332122 1.177121 0.926961
O 0.779670 2.156218 0.683998
O -3.048425 1.513310 -1.330845
O 4.765979 1.845146 -1.126193
N -1.361408 0.590085 -0.000163
N 1.594451 2.325471 -1.448520
N 3.747296 1.984371 0.911121
C -0.301915 0.776890 -1.013998
C 0.388906 -0.559740 -1.295501
C 0.742962 1.787968 -0.477562
C 3.182879 -1.207834 -1.084902
C 4.192831 -1.671077 -0.084176
C -2.619272 1.150936 -0.252360
C 2.736032 3.157310 -1.024491
C -4.755606 1.513771 0.821538
C 3.960236 -2.831440 0.672396
C 5.384773 -0.951730 0.094079
C -5.544275 0.287606 0.463581
C 4.910749 -3.259914 1.602308
C 6.331898 -1.388244 1.023185
C 3.842141 2.261910 -0.442343
C 6.097045 -2.540427 1.780178
C -5.659958 -0.099250 -0.880221
C -6.167004 -0.470079 1.465203
C -6.404275 -1.231588 -1.218379
C -6.912422 -1.601814 1.121321
C -7.033305 -1.982089 -0.218959
H -0.775710 1.171652 -1.962956
H -0.319156 -1.407837 -1.169468
H 0.755386 -0.616260 -2.333833
H -1.046602 0.498037 0.974481
H 3.551316 -0.345778 -1.679735
H 2.920746 -2.012205 -1.797399
H 1.674204 1.910915 -2.372526
H 3.139678 3.717159 -1.899663
H 2.396791 3.920115 -0.281421
H -4.878022 2.332271 0.086067
H -4.949188 1.886326 1.845838
H 3.038446 -3.396833 0.540786
H 5.578215 -0.049953 -0.500896
H 4.726285 -4.157954 2.189886
H 7.257667 -0.829201 1.153812
H 6.836099 -2.878023 2.503975
H -5.154699 0.483161 -1.656905
H -6.068211 -0.183467 2.511007
H -6.493575 -1.530029 -2.261661
H -7.397064 -2.188681 1.899643
H -7.614891 -2.863179 -0.484559
H 4.366213 1.292436 1.316769
H 2.869322 2.128231 1.409728


%chk=000294947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294947

0 1
S 1.001250 -0.505608 -0.258603
O -3.482520 1.713874 0.333623
O 0.868029 3.089624 0.576604
O -2.917197 1.217216 -1.909508
O 5.162581 1.933666 -0.436957
N -1.316707 1.878058 -0.336361
N 2.071549 2.848520 -1.389366
N 3.565414 2.208104 1.248694
C -0.208782 1.881808 -1.287138
C 0.217896 0.446693 -1.704911
C 0.949754 2.656526 -0.620351
C 2.612983 -1.110190 -1.121126
C 3.451086 -1.899359 -0.141616
C -2.590829 1.567683 -0.738852
C 3.283399 3.481796 -0.831270
C -4.908030 1.332898 0.041668
C 3.029213 -3.182701 0.296311
C 4.673784 -1.369514 0.348269
C -5.167105 -0.133638 0.312075
C 3.813324 -3.924022 1.206466
C 5.460803 -2.117133 1.255187
C 4.104299 2.473434 0.013355
C 5.033210 -3.393075 1.689086
C -4.980372 -1.097713 -0.712653
C -5.602923 -0.561332 1.591946
C -5.223035 -2.465587 -0.457753
C -5.845342 -1.929234 1.848267
C -5.656381 -2.884504 0.822358
H -0.527717 2.409740 -2.211395
H -0.674774 -0.094394 -2.055288
H 0.953505 0.474749 -2.529458
H -1.122134 2.214327 0.612748
H 3.156568 -0.222014 -1.483275
H 2.290836 -1.728012 -1.976762
H 2.126640 2.427359 -2.318034
H 3.920483 3.832146 -1.656758
H 2.970150 4.339668 -0.211877
H -5.118326 1.597123 -1.008965
H -5.476376 1.982721 0.725521
H 2.081620 -3.593463 -0.072549
H 5.019080 -0.383430 0.010074
H 3.476896 -4.913108 1.537419
H 6.409279 -1.703333 1.616250
H 5.644405 -3.969944 2.392443
H -4.631809 -0.766397 -1.697223
H -5.748093 0.178839 2.388617
H -5.076426 -3.203389 -1.254595
H -6.181994 -2.249378 2.840683
H -5.846211 -3.945882 1.018883
H 3.986663 1.476842 1.823630
H 2.635985 2.576045 1.487764


