%chk=000232019.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232019

0 1
S 3.930143 -1.913498 -0.256308
O 5.148847 -2.431218 0.333644
O 3.208545 -2.673467 -1.249670
N 2.926651 -1.663690 1.118952
C -2.585925 -0.007607 1.020936
C -1.140836 -0.469617 1.015519
C -3.434723 -0.781297 0.027159
C -2.703302 1.492143 0.812345
C -0.358602 -0.245780 2.161572
C 0.979489 -0.639459 2.218092
C -0.564720 -1.109790 -0.085837
C 1.555620 -1.283380 1.086955
C 0.767964 -1.524516 -0.050091
C -3.914245 -2.049909 0.393817
C -3.822337 2.161677 1.334912
C -3.743720 -0.268503 -1.240286
C -1.732273 2.219468 0.109898
C 1.778623 -0.380268 3.454885
C -4.696709 -2.789515 -0.495550
C -3.961395 3.540310 1.160458
C -4.529495 -1.011653 -2.126309
C -1.874739 3.599691 -0.060423
C 4.205593 -0.316750 -0.853900
C -5.008107 -2.271873 -1.757382
C -2.987413 4.263570 0.463862
C 5.351554 0.380616 -0.456027
C 3.297332 0.272434 -1.738850
C 5.585027 1.672269 -0.935704
C 3.528926 1.565108 -2.219153
C 4.671658 2.264079 -1.815779
H -2.996649 -0.231160 2.048660
H -0.803222 0.255203 3.022000
H -1.157062 -1.306092 -0.981558
H 1.171751 -2.077016 -0.906593
H -3.668974 -2.464388 1.370121
H -4.589351 1.605368 1.870946
H -3.376320 0.713389 -1.538473
H -0.860830 1.710178 -0.301167
H 3.303208 -1.879370 2.050350
H 1.218720 0.205358 4.197030
H 2.693549 0.187433 3.232099
H 2.070813 -1.317602 3.949208
H -5.063625 -3.772780 -0.205686
H -4.831513 4.052718 1.567485
H -4.768201 -0.604940 -3.107645
H -1.114739 4.158212 -0.603775
H -5.618762 -2.848737 -2.448285
H -3.096532 5.337367 0.330594
H 6.072399 -0.088025 0.224107
H 2.406653 -0.276117 -2.064571
H 6.477321 2.215198 -0.627355
H 2.821269 2.024450 -2.907970
H 4.852964 3.272576 -2.190263


%chk=000232019-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232019

0 1
S 4.061907 -1.975958 -0.238187
O 5.423725 -2.423718 0.531125
O 3.410257 -2.855827 -1.436997
N 2.906237 -1.825842 1.142191
C -2.599485 0.011071 1.016100
C -1.154234 -0.517279 1.012021
C -3.512491 -0.761916 0.046484
C -2.677332 1.535903 0.814843
C -0.347230 -0.329715 2.162711
C 1.001846 -0.739303 2.223958
C -0.576827 -1.166864 -0.103920
C 1.557933 -1.399109 1.080797
C 0.757974 -1.620123 -0.069284
C -4.000201 -2.037794 0.432055
C -3.795942 2.241235 1.330529
C -3.861492 -0.262131 -1.232176
C -1.687390 2.262312 0.108283
C 1.839596 -0.502866 3.466733
C -4.815148 -2.796543 -0.435216
C -3.924032 3.634876 1.147672
C -4.676958 -1.019702 -2.105030
C -1.812166 3.658840 -0.078431
C 4.268743 -0.207910 -0.890440
C -5.156745 -2.289271 -1.711258
C -2.929893 4.351162 0.439690
C 5.207348 0.611960 -0.243012
C 3.502979 0.187920 -1.997755
C 5.371557 1.926911 -0.735545
C 3.680169 1.509542 -2.471020
C 4.606128 2.372964 -1.840144
H -2.997821 -0.184153 2.033819
H -0.777955 0.175590 3.037436
H -1.181784 -1.355260 -0.997117
H 1.175761 -2.177324 -0.913931
H -3.731899 -2.439809 1.417321
H -4.573666 1.689397 1.873780
H -3.506379 0.727558 -1.539880
H -0.810431 1.735830 -0.284235
H 3.380007 -2.047907 2.021750
H 1.291179 0.112386 4.198934
H 2.784701 0.020844 3.224253
H 2.109333 -1.450347 3.976233
H -5.184084 -3.778690 -0.118397
H -4.793506 4.162004 1.556795
H -4.939499 -0.616259 -3.089791
H -1.034778 4.205418 -0.624879
H -5.791063 -2.874465 -2.386565
H -3.024383 5.433825 0.298642
H 5.801697 0.227601 0.592271
H 2.816509 -0.513820 -2.480917
H 6.098090 2.595723 -0.262731
H 3.100961 1.856811 -3.332687
H 4.740479 3.393020 -2.215886


