%chk=000299702.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299702

0 1
S -4.317954 -0.720224 -2.813500
N -3.802714 0.082014 -0.220941
C -0.177173 -0.398371 0.523354
C 2.232694 -0.053813 -0.302437
C 0.978010 -0.949659 -0.333849
C -1.266348 -1.475988 0.703329
C -0.789660 0.863510 -0.116479
C 2.931526 -0.117338 1.071338
C 3.214963 -0.476689 -1.415231
C -2.432971 -0.957009 1.549347
C -1.948706 1.411466 0.720721
C -3.035519 0.350343 0.993121
C 4.190070 0.760560 1.091630
C 4.476371 0.397631 -1.398797
C 5.163750 0.362382 -0.026594
C -3.915996 -0.288506 -1.346796
H 0.222814 -0.127945 1.531954
H 1.924162 1.003836 -0.492923
H 0.637070 -1.074796 -1.380153
H 1.243551 -1.968326 0.008212
H -0.834705 -2.375894 1.181180
H -1.634882 -1.810822 -0.286447
H -1.136342 0.637323 -1.144065
H -0.009693 1.641897 -0.231114
H 2.232833 0.205291 1.865257
H 3.202123 -1.163526 1.307746
H 3.494940 -1.539173 -1.287587
H 2.723401 -0.405402 -2.402763
H -3.217138 -1.736198 1.626763
H -2.091344 -0.769155 2.586987
H -1.569314 1.780272 1.694659
H -2.392958 2.292999 0.217259
H -3.782810 0.761074 1.731099
H 4.690502 0.677485 2.074114
H 3.907893 1.824878 0.980259
H 4.212908 1.440787 -1.658637
H 5.179376 0.055998 -2.181153
H 6.038659 1.038117 -0.024712
H 5.559007 -0.653230 0.166749


%chk=000299702-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299702

0 1
S -4.404740 -0.212200 -3.026035
N -3.717190 0.175702 -0.293744
C -0.181540 -0.488469 0.587272
C 2.246659 -0.069948 -0.368193
C 0.993374 -0.980849 -0.296263
C -1.318598 -1.544406 0.601102
C -0.736926 0.884399 0.126372
C 2.894974 0.172944 1.020009
C 3.289752 -0.679448 -1.343082
C -2.527507 -1.100753 1.453616
C -1.946154 1.340737 0.973542
C -3.083547 0.279748 1.000308
C 4.179273 1.032038 0.920889
C 4.571609 0.179415 -1.449022
C 5.204675 0.411083 -0.056839
C -3.979141 0.002705 -1.458879
H 0.180837 -0.376462 1.633217
H 1.948038 0.918903 -0.781237
H 0.610817 -1.135486 -1.328255
H 1.311286 -1.981745 0.068568
H -0.930469 -2.506392 0.989284
H -1.650061 -1.737755 -0.439868
H -1.033453 0.816126 -0.940553
H 0.052389 1.657345 0.184267
H 2.173946 0.663440 1.703112
H 3.145094 -0.810688 1.473154
H 3.560678 -1.696158 -0.985477
H 2.832675 -0.807361 -2.344964
H -3.334694 -1.855514 1.415304
H -2.223615 -0.995835 2.514402
H -1.629563 1.502011 2.023631
H -2.346527 2.301522 0.599977
H -3.862865 0.607284 1.716593
H 4.631671 1.155007 1.924525
H 3.910077 2.048697 0.565174
H 4.318204 1.160733 -1.901866
H 5.300493 -0.306514 -2.126745
H 6.096079 1.062691 -0.142548
H 5.554387 -0.560750 0.350148


