%chk=000229232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229232

0 1
S -1.099602 3.275241 0.101047
O -1.258645 3.862041 -1.202901
O -1.102177 4.135228 1.272356
O 3.164492 -1.827627 -1.314633
N -2.462090 2.240163 0.438454
N -2.602899 1.213586 -0.442418
N 3.601933 -0.333835 0.390735
C -3.535331 -2.118482 -0.701183
C -3.646593 -0.739648 -1.371366
C -2.191373 -2.330493 -0.055274
C 0.261230 2.236021 0.147519
C 1.166088 2.328047 1.214457
C 0.471398 1.285860 -0.860588
C 2.464369 0.515774 0.268966
C -3.593908 0.374094 -0.358513
C 2.269021 1.484333 1.283539
C 1.566194 0.425541 -0.808715
C -1.038623 -2.457950 -0.847113
C -2.082504 -2.407688 1.341165
C 0.207072 -2.654055 -0.247201
C -0.834122 -2.611583 1.936508
C 0.311870 -2.734609 1.145712
C 3.897429 -1.463392 -0.420598
C 5.183806 -2.144572 -0.053642
H -3.708413 -2.908830 -1.462068
H -4.351251 -2.243806 0.038903
H -4.600954 -0.668644 -1.933488
H -2.841473 -0.623300 -2.129692
H 1.003220 3.073169 2.004774
H -0.231548 1.208441 -1.700319
H -4.400982 0.381200 0.380057
H 2.961178 1.569080 2.116664
H 1.711780 -0.323403 -1.594920
H -1.113008 -2.397946 -1.930684
H -2.967015 -2.305246 1.964760
H -3.156927 2.445032 1.167001
H 1.104074 -2.735928 -0.867301
H -0.756353 -2.671855 3.020287
H 4.244216 -0.108716 1.155467
H 1.281057 -2.891296 1.610205
H 6.057129 -1.485716 -0.158481
H 5.355687 -3.004845 -0.725290
H 5.178650 -2.541683 0.970514


%chk=000229232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000229232

0 1
S -1.097652 3.394712 -0.017809
O -1.363420 3.801863 -1.568558
O -1.051809 4.508787 1.167446
O 3.514079 -1.720080 -1.389134
N -2.421144 2.145691 0.622507
N -2.651371 1.165422 -0.314375
N 3.708103 -0.279821 0.457682
C -3.738001 -2.146717 -0.594708
C -3.871943 -0.730641 -1.247810
C -2.341774 -2.443622 -0.061593
C 0.406173 2.290891 0.083472
C 1.190984 2.353756 1.246198
C 0.677443 1.425903 -0.987560
C 2.589707 0.579702 0.280487
C -3.712701 0.398565 -0.261389
C 2.299408 1.493019 1.333386
C 1.780475 0.555353 -0.888555
C -1.240485 -2.573282 -0.948622
C -2.107045 -2.585853 1.328748
C 0.059802 -2.830795 -0.462108
C -0.808683 -2.851038 1.823340
C 0.278356 -2.972510 0.928948
C 4.120745 -1.354103 -0.340543
C 5.379094 -2.064465 0.151733
H -4.016126 -2.892476 -1.365678
H -4.480854 -2.242330 0.220720
H -4.872274 -0.661322 -1.721306
H -3.114666 -0.611028 -2.042059
H 0.940019 3.055488 2.047612
H 0.038619 1.425842 -1.874864
H -4.492233 0.518011 0.518100
H 2.931541 1.517884 2.229622
H 2.010902 -0.151191 -1.686409
H -1.401615 -2.469319 -2.029505
H -2.946048 -2.488754 2.029433
H -3.216050 2.699583 1.009585
H 0.903386 -2.912967 -1.156942
H -0.648196 -2.959547 2.902360
H 4.265507 -0.105274 1.296792
H 1.286598 -3.176388 1.308098
H 6.162554 -1.979692 -0.621210
H 5.159231 -3.138658 0.274112
H 5.777468 -1.670894 1.103058


