%chk=000221223.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221223

0 1
S 1.085703 1.891046 -0.403290
O 1.754747 3.100862 0.049039
O 0.537471 1.865300 -1.746975
O -3.722383 -2.602954 -0.158735
N -0.204457 1.657973 0.753635
N 4.619546 -2.778990 0.352062
C -0.926869 2.920883 1.088312
C -1.964577 3.270288 0.012258
C -3.004828 2.151768 -0.121227
C -1.104327 0.556547 0.501967
C -2.443789 0.770227 0.075554
C -3.277621 -0.328006 -0.129035
C -0.646703 -0.744348 0.756424
C 2.107689 0.535262 -0.179949
C -2.782016 -1.626394 0.098759
C -1.476395 -1.849656 0.546056
C 2.129178 -0.492811 -1.135343
C 2.953884 0.465760 0.936574
C 2.970797 -1.585809 -0.983197
C 3.804886 -0.616441 1.116332
C 3.816484 -1.657588 0.153368
C -3.335446 -3.981753 0.048282
H -0.183049 3.742534 1.217007
H -1.418837 2.781268 2.077235
H -1.460028 3.429336 -0.965976
H -2.459418 4.228556 0.252658
H -3.487095 2.216989 -1.120407
H -3.820486 2.308096 0.617685
H -4.306001 -0.206932 -0.463296
H 0.366165 -0.904598 1.131115
H -1.100676 -2.847850 0.738458
H 1.474944 -0.427637 -2.015831
H 2.949463 1.277743 1.673965
H 2.977280 -2.377882 -1.725818
H 4.452314 -0.663893 1.986662
H -2.510437 -4.249563 -0.617741
H -4.253420 -4.516341 -0.228785
H -3.084588 -4.152932 1.098915
H 5.349411 -2.751736 1.044094
H 4.775487 -3.419926 -0.407614


%chk=000221223-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221223

0 1
S 1.064971 1.719344 -0.614283
O 1.755276 3.185383 -0.330887
O 0.442581 1.359224 -2.094350
O -4.132149 -2.541367 -0.280418
N -0.384472 1.479563 1.006783
N 5.254995 -2.520288 0.504330
C -0.903662 2.872886 1.137198
C -1.982083 3.242972 0.097325
C -3.164286 2.257028 0.186862
C -1.337305 0.504268 0.630337
C -2.689275 0.811907 0.241418
C -3.574046 -0.242747 -0.035245
C -0.932488 -0.861458 0.703113
C 2.340636 0.408143 -0.246339
C -3.151356 -1.593582 0.030647
C -1.815320 -1.908924 0.401226
C 2.347968 -0.757929 -1.034088
C 3.274455 0.628913 0.783362
C 3.324936 -1.737582 -0.783008
C 4.248916 -0.352857 1.032851
C 4.287753 -1.551798 0.255733
C -3.752336 -3.957433 -0.247879
H -0.033512 3.551984 1.067156
H -1.304689 2.949310 2.169654
H -1.530862 3.205289 -0.912366
H -2.328225 4.278854 0.267841
H -3.854026 2.392368 -0.666502
H -3.754533 2.471346 1.102986
H -4.611958 -0.039986 -0.322097
H 0.093134 -1.076449 1.020622
H -1.471695 -2.944984 0.467937
H 1.613660 -0.872560 -1.838536
H 3.250885 1.559254 1.359279
H 3.352744 -2.647448 -1.394049
H 4.989317 -0.194697 1.825700
H -2.944211 -4.172058 -0.973191
H -4.662910 -4.503838 -0.533138
H -3.434665 -4.263958 0.767308
H 5.954052 -2.385617 1.229074
H 5.305789 -3.364078 -0.059170


