%chk=000266231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266231

0 1
S -0.388981 -1.317968 1.477397
O 0.118883 -2.639164 1.208247
O -0.361377 -0.815259 2.838111
O 1.315969 1.780903 -2.705124
O -0.323948 0.421022 -2.349076
N 0.543007 -0.203623 0.496285
N 0.429582 1.320756 -2.011161
C 1.903424 -0.541880 0.112102
C 0.227937 1.194349 0.513480
C 2.149862 -1.513385 -0.882046
C -1.968310 -1.113939 0.837511
C 2.963776 0.130081 0.744493
C 4.288466 -0.154261 0.394206
C 0.205252 1.941373 -0.685229
C 3.489344 -1.786561 -1.212400
C -0.078447 1.855237 1.722340
C -3.045169 -0.930303 1.715923
C -2.200842 -1.154668 -0.543252
C 4.544075 -1.120432 -0.592720
C 1.060161 -2.270090 -1.559859
C -4.577738 -0.848359 -0.162340
C -4.342111 -0.799969 1.223809
C -3.495584 -1.023634 -1.042465
C -0.059888 3.322327 -0.666470
C 5.409083 0.569395 1.067020
C -0.376520 3.213341 1.727234
C -0.357635 3.954937 0.535552
C -5.961370 -0.718508 -0.703006
H 2.755869 0.871974 1.514624
H 3.704078 -2.536342 -1.974618
H -0.066940 1.293790 2.670194
H -2.867959 -0.884099 2.797428
H -1.357909 -1.272912 -1.248157
H 5.569155 -1.351628 -0.875905
H 0.188502 -1.631510 -1.794993
H 0.706908 -3.089346 -0.902713
H 1.383286 -2.722712 -2.504933
H -5.172249 -0.661247 1.913732
H -3.664675 -1.052205 -2.118214
H -0.032523 3.890429 -1.600523
H 6.396095 0.190762 0.771777
H 5.388943 1.641882 0.824460
H 5.344883 0.480249 2.161008
H -0.613564 3.710706 2.670344
H -0.571701 5.022735 0.553692
H -6.023524 0.064068 -1.474390
H -6.704244 -0.469779 0.066709
H -6.290733 -1.657635 -1.175087


%chk=000266231-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266231

0 1
S -0.399602 -1.277617 1.481748
O 0.204369 -2.769494 1.173814
O -0.510815 -0.775140 3.050596
O -0.872723 2.598724 -2.866107
O 0.719261 1.001885 -2.516123
N 0.718825 0.040024 -0.048624
N -0.052313 1.951317 -2.099472
C 2.035665 -0.438458 -0.133040
C 0.433674 1.386364 0.320900
C 2.280237 -1.604549 -0.947575
C -2.139867 -1.153848 0.764120
C 3.124827 0.204070 0.544776
C 4.438994 -0.281291 0.461723
C -0.006721 2.321503 -0.673809
C 3.611561 -2.080871 -1.012113
C 0.431065 1.840444 1.671618
C -3.082768 -0.389428 1.469594
C -2.434370 -1.824528 -0.434739
C 4.665780 -1.450300 -0.322741
C 1.194327 -2.256421 -1.768066
C -4.736280 -0.948084 -0.275170
C -4.388443 -0.297259 0.937065
C -3.745519 -1.716604 -0.944716
C -0.422285 3.629545 -0.341069
C 5.588379 0.400214 1.181670
C 0.021495 3.147162 2.004364
C -0.402966 4.050355 1.001016
C -6.131070 -0.815046 -0.857748
H 2.919887 1.099896 1.140553
H 3.822544 -2.959817 -1.631721
H 0.724968 1.147594 2.465082
H -2.805893 0.092900 2.412573
H -1.675486 -2.425087 -0.944102
H 5.682714 -1.854406 -0.401810
H 0.510312 -1.493952 -2.176036
H 0.607009 -2.945859 -1.133029
H 1.628619 -2.836330 -2.600265
H -5.145028 0.286767 1.473342
H -4.001488 -2.234310 -1.876366
H -0.752985 4.289209 -1.148069
H 6.066866 -0.284017 1.907270
H 6.372597 0.721229 0.470710
H 5.249098 1.292337 1.734652
H 0.038910 3.459353 3.053996
H -0.712920 5.067072 1.260965
H -6.142762 -0.075691 -1.681670
H -6.858305 -0.477706 -0.099807
H -6.488775 -1.772955 -1.275163


