%chk=000245260.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245260

0 1
S 0.510773 0.095965 0.036635
N -2.598987 1.332546 0.537418
N -4.570340 0.203243 0.177290
N -3.544137 -1.955039 -0.557591
N -1.102904 -1.930022 -0.595607
C -2.243059 0.056764 0.086206
C -1.700309 2.467525 0.829920
C -3.506420 -0.651647 -0.127965
C -1.055192 -0.658160 -0.174913
C -4.007558 1.372650 0.555594
C -1.362746 3.249477 -0.434532
C 1.709984 -1.216685 -0.373216
C 3.037362 -0.560900 -0.195456
C -2.346838 -2.528416 -0.769236
C 3.678060 -0.591187 1.054009
C 3.654464 0.088544 -1.277092
C 4.923884 0.020042 1.215760
C 4.900414 0.697610 -1.108243
C 5.537115 0.664602 0.136593
H -2.198819 3.127978 1.577967
H -0.771235 2.085306 1.319041
H -4.564607 2.252212 0.858668
H -0.858467 2.619166 -1.182429
H -0.686116 4.084032 -0.210436
H -2.255435 3.666123 -0.917299
H 1.536510 -1.589017 -1.404143
H 1.560671 -2.095265 0.287728
H -2.327265 -3.574757 -1.115241
H 3.204970 -1.090410 1.898624
H 3.163028 0.118800 -2.248626
H 5.418484 -0.006915 2.185739
H 5.376783 1.198697 -1.949766
H 6.508430 1.138638 0.264998


%chk=000245260-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245260

0 1
S 0.515386 0.337018 0.114581
N -2.764950 1.351752 0.532581
N -4.658389 0.076256 0.205907
N -3.501540 -1.996110 -0.504732
N -1.056379 -1.828179 -0.540180
C -2.322159 0.091350 0.108076
C -1.971484 2.572481 0.803428
C -3.520470 -0.691919 -0.091165
C -1.072192 -0.535161 -0.126885
C -4.163038 1.272743 0.564487
C -1.602794 3.340011 -0.482079
C 1.749017 -1.055938 -0.375487
C 3.155607 -0.539851 -0.205026
C -2.254846 -2.487001 -0.709595
C 3.832508 -0.686935 1.033819
C 3.827508 0.095032 -1.281993
C 5.153818 -0.213978 1.191725
C 5.148995 0.568730 -1.126470
C 5.815786 0.415512 0.111572
H -2.577214 3.208175 1.474193
H -1.061179 2.283417 1.356696
H -4.771173 2.124925 0.864540
H -0.967244 2.723797 -1.140696
H -1.038585 4.253519 -0.222255
H -2.508065 3.636926 -1.040169
H 1.502627 -1.324484 -1.413271
H 1.510617 -1.908533 0.277058
H -2.180166 -3.525351 -1.044505
H 3.320986 -1.174829 1.872217
H 3.312398 0.213786 -2.242877
H 5.667038 -0.338115 2.151737
H 5.658186 1.052263 -1.967498
H 6.841889 0.780191 0.232664


