%chk=000201338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201338

0 1
S -1.256939 -2.551527 -0.211810
O 1.233468 0.577384 0.820885
O -2.711266 -2.518914 -0.206438
O -0.555351 -2.373857 -1.465964
N -4.085175 2.052347 -0.050355
C -0.662541 -1.392499 0.983293
C -1.045607 0.006130 0.626276
C -0.049878 1.009926 0.522069
C 3.520310 0.355722 0.378930
C 2.334877 1.299011 0.185182
C -2.376401 0.361401 0.413952
C 4.821857 0.997385 -0.115775
C -0.377831 2.330327 0.201124
C -2.716391 1.690989 0.082732
C -0.757178 -4.091886 0.472792
C -1.711754 2.672145 -0.025061
C 6.011353 0.057911 0.064963
H -1.039096 -1.614801 2.004442
H 0.449983 -1.445531 1.086982
H 3.328609 -0.596575 -0.155451
H 3.603406 0.080116 1.449524
H 2.457643 2.257273 0.716609
H 2.095722 1.471001 -0.877348
H -3.162056 -0.400366 0.488108
H 5.008674 1.944406 0.428468
H 4.724521 1.273176 -1.184963
H 0.391903 3.094589 0.132940
H -0.938564 -4.923384 -0.227148
H 0.310957 -4.150232 0.707711
H -1.306219 -4.364025 1.382158
H -1.970026 3.699155 -0.270769
H 6.160578 -0.209491 1.117421
H 5.878172 -0.875508 -0.494665
H 6.939059 0.521707 -0.289900
H -4.264262 2.854079 -0.639383
H -4.710058 1.287821 -0.276733


%chk=000201338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201338

0 1
S -1.431413 -2.861491 0.442189
O 1.133309 0.069702 0.562737
O -0.845219 -4.183185 1.211084
O -3.003403 -2.800885 -0.019068
N -4.019285 2.272415 -0.264254
C -1.085557 -1.260442 1.617490
C -1.254413 0.008084 0.871010
C -0.114065 0.694239 0.349688
C 3.553695 -0.030248 0.603551
C 2.349338 0.822605 0.199389
C -2.546421 0.542421 0.652062
C 4.893919 0.671521 0.279154
C -0.289935 1.917640 -0.335127
C -2.736534 1.760357 -0.054648
C -0.366793 -2.577875 -1.126352
C -1.583546 2.443797 -0.534907
C 6.115664 -0.184032 0.676821
H -1.849707 -1.457166 2.384765
H -0.066708 -1.462406 1.973162
H 3.503215 -1.003169 0.077214
H 3.494810 -0.247204 1.687247
H 2.351351 1.795831 0.733801
H 2.353638 1.019470 -0.893644
H -3.412657 -0.013741 1.028621
H 4.937534 1.645933 0.806977
H 4.940035 0.899627 -0.805421
H 0.569578 2.470679 -0.724340
H -0.500590 -3.495065 -1.716780
H -0.773975 -1.692274 -1.631738
H 0.668539 -2.434912 -0.789030
H -1.699565 3.393049 -1.071787
H 6.112509 -0.399904 1.761444
H 6.112769 -1.152260 0.142315
H 7.062888 0.332084 0.437165
H -4.159385 3.130045 -0.788990
H -4.839121 1.752164 0.032999


