%chk=000282829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282829

0 1
S 3.311248 3.381747 -0.429924
O -0.663738 -2.272152 0.980373
O -1.353291 -2.611607 -2.331982
O 0.779239 -4.642083 -0.600958
N 1.075423 -1.065610 -0.058774
N 1.080022 1.042179 -0.994484
N 3.142201 -0.841079 1.349639
N 4.181244 1.361133 1.116493
C -1.772419 -2.637472 0.102168
C -1.144241 -3.355168 -1.125227
C 0.389195 -3.307484 -0.916403
C 0.600173 -2.407781 0.337188
C -2.581829 -1.392568 -0.255274
C -2.849229 -0.521981 0.979429
C 2.188583 -0.397687 0.471748
C 0.435814 -0.125168 -0.937094
C -3.488162 0.780487 0.581249
C 2.184149 0.919753 -0.131330
C -2.692426 1.844606 0.128158
C -4.880240 0.937882 0.652582
C 3.237679 1.780405 0.243475
C 4.097298 0.081698 1.628480
C -3.285997 3.051749 -0.247842
C -5.468687 2.148834 0.276214
C -4.674518 3.207129 -0.175040
C 4.778606 4.115431 0.310879
H -2.352237 -3.339797 0.742260
H -1.505330 -4.398220 -1.244290
H 0.916290 -2.945249 -1.826364
H 1.279011 -2.842097 1.116205
H -3.538169 -1.687885 -0.728312
H -2.041911 -0.793097 -1.026332
H -1.889978 -0.337466 1.516217
H -3.480278 -1.068844 1.707496
H -2.201546 -2.863844 -2.753111
H 1.742182 -4.766082 -0.757081
H -0.478456 -0.398403 -1.471525
H -1.609045 1.734438 0.070793
H -5.504764 0.119941 1.003572
H 4.892122 -0.211198 2.334261
H -2.662883 3.873908 -0.598165
H -6.549045 2.267270 0.336076
H -5.133636 4.148702 -0.467085
H 4.708719 4.154906 1.406857
H 4.878363 5.137127 -0.076102
H 5.688591 3.550700 0.065487


%chk=000282829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282829

0 1
S 5.330209 2.748010 -0.941598
O -0.559255 -1.039438 0.612337
O -0.839383 -1.719016 -2.370202
O 0.380914 -4.111505 0.054922
N 1.645469 -0.633934 -0.227279
N 2.483420 1.071412 -1.520530
N 3.409440 -0.731152 1.511206
N 5.171795 0.928533 1.127056
C -1.643363 -1.879410 0.017889
C -0.972563 -2.581432 -1.187809
C 0.455157 -2.842248 -0.672574
C 0.740334 -1.653666 0.306309
C -2.835135 -0.971676 -0.293277
C -3.450517 -0.338592 0.986114
C 2.834589 -0.226343 0.386964
C 1.486267 0.182903 -1.364226
C -4.603092 0.598194 0.656150
C 3.342895 0.830881 -0.430465
C -4.352124 1.936627 0.255134
C -5.947551 0.147729 0.700715
C 4.569421 1.404081 -0.002228
C 4.577461 -0.095429 1.818120
C -5.414150 2.800335 -0.094346
C -7.014146 1.007892 0.352325
C -6.750473 2.337914 -0.048464
C 6.867205 3.046187 0.103507
H -1.922270 -2.661972 0.754424
H -1.470606 -3.536055 -1.439238
H 1.187204 -2.879138 -1.500315
H 1.213756 -2.015605 1.239640
H -3.614799 -1.562325 -0.817199
H -2.507346 -0.162894 -0.972893
H -2.645305 0.201625 1.516390
H -3.796547 -1.149727 1.656100
H -1.735290 -1.547307 -2.753844
H 1.276147 -4.349416 0.404958
H 0.631832 0.056333 -2.025085
H -3.318521 2.304454 0.227205
H -6.160054 -0.881193 1.018470
H 5.102325 -0.438631 2.713926
H -5.201886 3.832493 -0.395711
H -8.047088 0.644109 0.398309
H -7.575608 3.007713 -0.315448
H 6.573851 3.328243 1.123839
H 7.402069 3.867855 -0.397560
H 7.479408 2.134580 0.132882


