%chk=000225086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225086

0 1
S -0.538008 -1.836127 -0.963701
S 0.205841 0.020266 -1.372913
O -6.175434 -1.281398 -0.861651
O 4.792070 -2.398835 1.045909
O -5.157916 2.465682 1.651699
O 6.806312 1.303362 -0.859750
N -4.070043 0.380345 1.487530
N 4.649898 1.021637 0.051281
N -5.990039 0.736907 0.282056
N 6.114219 -0.744645 0.080142
C -4.225577 -0.821141 0.613520
C 3.862616 -0.145220 0.550379
C -3.087539 -1.016870 -0.395609
C 2.687469 -0.544747 -0.350269
C -1.850668 -1.608679 0.261604
C 1.485375 0.361602 -0.137799
C -5.572162 -0.561079 -0.113399
C 4.917764 -1.281799 0.622106
C -5.063625 1.355637 1.194233
C 5.959755 0.625782 -0.336236
H -4.338907 -1.722969 1.273623
H 3.511494 0.087674 1.591603
H -2.849399 -0.053851 -0.897916
H -3.445151 -1.685315 -1.215208
H 2.413441 -1.605079 -0.130833
H 3.000961 -0.547255 -1.416922
H -2.055619 -2.622186 0.673372
H -1.498504 -0.998970 1.113767
H 1.745096 1.433784 -0.270019
H 1.082229 0.267120 0.888727
H -3.134427 0.677793 1.746705
H 4.170417 1.754868 -0.462146
H -6.858695 1.179237 -0.007872
H 6.997758 -1.244431 0.017788


%chk=000225086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225086

0 1
S -0.497574 -2.176353 -0.699273
S 0.123610 -0.185251 -1.592300
O -6.163172 -1.171938 -0.999066
O 4.915253 -2.544330 0.607801
O -5.191318 2.568319 1.714124
O 6.838930 1.658393 -0.355698
N -4.113149 0.460983 1.428556
N 4.603817 0.982608 0.128561
N -5.963509 0.855910 0.226225
N 6.188807 -0.603206 0.095117
C -4.308878 -0.768824 0.642326
C 3.884590 -0.262453 0.448066
C -3.140643 -1.144373 -0.305743
C 2.746969 -0.641921 -0.534357
C -1.895274 -1.614268 0.457826
C 1.535837 0.292704 -0.414069
C -5.593903 -0.434146 -0.162906
C 5.027606 -1.313030 0.410073
C -5.082593 1.432147 1.199939
C 5.968110 0.803213 -0.078699
H -4.535319 -1.632216 1.301701
H 3.479452 -0.236685 1.480853
H -2.884836 -0.271687 -0.935352
H -3.499928 -1.947118 -0.975591
H 2.440111 -1.679114 -0.299842
H 3.133577 -0.631999 -1.569787
H -2.099313 -2.517803 1.064445
H -1.481114 -0.832089 1.117242
H 1.770240 1.329688 -0.723545
H 1.129233 0.313802 0.612026
H -3.376000 0.608701 2.114011
H 4.189007 1.911411 0.100313
H -6.771112 1.362644 -0.136834
H 7.113488 -1.020619 -0.012340


