%chk=000295691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295691

0 1
S 0.304663 -4.025720 -0.470012
O 4.230280 1.196331 -0.440479
O 2.389969 2.372049 0.129227
O -5.721422 -0.769909 0.475746
O -4.060207 -1.969812 -0.213282
N 0.050723 0.983593 0.322963
N 0.223011 -1.376538 -0.050201
N 2.363974 -2.386057 -0.625566
N -4.535590 -0.945969 0.255283
C -1.350551 1.028316 0.600567
C 0.817031 -0.128060 0.016395
C 2.223988 0.005663 -0.230802
C -2.244992 -0.002182 0.272784
C -1.833491 2.208949 1.215034
C -3.599672 0.159334 0.584484
C -3.190764 2.343661 1.501496
C -4.091985 1.318891 1.193392
C 2.943496 -1.174808 -0.553752
C 2.897000 1.294016 -0.154100
C 1.008697 -2.434715 -0.363583
C 5.009731 2.449890 -0.390214
C 6.409330 2.007360 -0.750709
C -1.418020 -3.797127 -0.018222
H 0.563566 1.897409 0.393907
H -1.910372 -0.930717 -0.217261
H -1.145853 3.018296 1.470418
H -3.555397 3.257731 1.974948
H -5.158022 1.414810 1.419842
H 4.026597 -1.119752 -0.757570
H 4.560891 3.148531 -1.117090
H 4.918714 2.855787 0.631897
H 7.104844 2.856107 -0.752933
H 6.792733 1.260069 -0.041579
H 6.442672 1.542679 -1.746413
H -1.911568 -4.778510 -0.065515
H -1.959950 -3.116294 -0.695148
H -1.537355 -3.397599 0.998349


%chk=000295691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295691

0 1
S 0.327367 -4.179868 -0.683876
O 4.250878 1.175562 -0.397356
O 2.295047 2.305507 0.163113
O -5.810541 -0.685909 1.064763
O -4.133511 -2.111703 0.481886
N 0.050351 0.853177 0.298242
N 0.222177 -1.484303 -0.168133
N 2.380908 -2.486017 -0.736522
N -4.574925 -0.937270 0.790385
C -1.328211 0.986445 0.572916
C 0.805090 -0.249379 -0.043264
C 2.229442 -0.086922 -0.268211
C -2.257112 -0.083699 0.534583
C -1.787677 2.294854 0.908276
C -3.605841 0.191082 0.832519
C -3.145106 2.529281 1.200223
C -4.083021 1.475733 1.167513
C 2.948993 -1.261423 -0.612845
C 2.890624 1.219122 -0.145022
C 1.024560 -2.527118 -0.503469
C 4.991909 2.474656 -0.290734
C 6.451127 2.170603 -0.608872
C -1.488648 -3.876660 -0.311112
H 0.630941 1.717288 0.355183
H -1.926143 -1.089143 0.280163
H -1.071917 3.124857 0.938705
H -3.473948 3.541482 1.455232
H -5.141732 1.626514 1.389257
H 4.025787 -1.199128 -0.792851
H 4.538501 3.187382 -1.002552
H 4.849891 2.867280 0.731977
H 7.045332 3.100045 -0.543495
H 6.868807 1.441478 0.105920
H 6.557504 1.762332 -1.628170
H -1.972231 -4.861305 -0.402217
H -1.917200 -3.173483 -1.037709
H -1.610773 -3.485647 0.707856


