%chk=000233131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233131

0 1
S 0.009833 -1.569454 -0.482869
O 2.354915 2.063251 -0.765541
O 0.025447 -3.024874 -0.507072
O 0.725693 -0.828631 -1.498319
N 0.598049 -1.125899 1.088824
C 1.503085 0.048716 1.247261
C 2.781775 -0.047060 0.438509
C 0.725747 1.305458 0.917234
C 3.119898 0.923045 -0.515292
C 1.174413 2.214484 -0.052232
C -1.634119 -1.033232 -0.445353
C 0.922688 -2.258781 1.992241
C 3.682365 -1.109070 0.616874
C -0.463203 1.613352 1.597554
C 4.291794 0.866242 -1.287691
C 0.472740 3.390393 -0.371526
C -2.628219 -1.883934 0.047275
C -1.970571 0.231791 -0.929325
C 4.855865 -1.189747 -0.132343
C -1.171861 2.778790 1.303502
C -3.967447 -1.476351 0.071904
C 5.155762 -0.206598 -1.087828
C -0.704858 3.662236 0.318555
C -4.308871 -0.191048 -0.412255
C -3.303156 0.650254 -0.910468
C -5.014353 -2.402875 0.600566
C -5.727483 0.275746 -0.403540
H 1.793577 0.106452 2.338594
H 1.971081 -2.602447 1.904121
H 0.277442 -3.131040 1.772170
H 0.737109 -1.959787 3.037245
H 3.449929 -1.890454 1.346546
H -0.836473 0.920566 2.354599
H 4.492250 1.640551 -2.024605
H 0.860143 4.056838 -1.139000
H -2.359137 -2.884013 0.403943
H -1.195616 0.897295 -1.327817
H 5.538264 -2.023728 0.015609
H -2.091685 3.003272 1.838322
H 6.068918 -0.283751 -1.677762
H -1.265914 4.569233 0.093602
H -3.558739 1.638446 -1.289434
H -4.599539 -3.365246 0.929545
H -5.538000 -1.966601 1.462798
H -5.770853 -2.628496 -0.165140
H -6.147320 0.264286 0.612969
H -5.842624 1.297602 -0.788526
H -6.363240 -0.374381 -1.023523


%chk=000233131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233131

0 1
S -0.071317 -1.387537 -0.593853
O 2.402455 1.860843 -0.994684
O -0.013377 -3.010112 -0.784864
O 0.623278 -0.389038 -1.677171
N 0.579502 -1.014103 1.202488
C 1.582581 0.132783 1.278821
C 2.905906 -0.026351 0.535413
C 0.893130 1.440341 0.921406
C 3.216614 0.787325 -0.583894
C 1.308147 2.214179 -0.189667
C -1.891734 -0.917689 -0.458778
C 1.010217 -2.302748 1.811895
C 3.877999 -0.977271 0.939026
C -0.195369 1.913479 1.692875
C 4.399890 0.609723 -1.329651
C 0.645011 3.410260 -0.545435
C -2.799613 -1.926775 -0.105147
C -2.270943 0.395881 -0.761186
C 5.073119 -1.163154 0.214711
C -0.859647 3.112323 1.365316
C -4.178913 -1.616104 -0.030276
C 5.323913 -0.377243 -0.936481
C -0.438805 3.858106 0.234705
C -4.608122 -0.282071 -0.320747
C -3.649066 0.696194 -0.685755
C -5.178041 -2.694623 0.344444
C -6.078967 0.083689 -0.252562
H 1.788685 0.133968 2.371394
H 1.849163 -2.807916 1.296282
H 0.154858 -2.996284 1.827931
H 1.301697 -2.079569 2.855567
H 3.699059 -1.573483 1.840345
H -0.532578 1.307464 2.541360
H 4.577141 1.254064 -2.195583
H 0.996992 3.966529 -1.419118
H -2.439618 -2.945101 0.076673
H -1.532031 1.146038 -1.058323
H 5.803381 -1.909374 0.543907
H -1.699031 3.460961 1.975534
H 6.243772 -0.520283 -1.513345
H -0.949489 4.789579 -0.033167
H -3.983921 1.713442 -0.917688
H -4.675462 -3.657518 0.533842
H -5.746477 -2.422946 1.254635
H -5.922403 -2.854677 -0.459114
H -6.493398 -0.090134 0.758998
H -6.241149 1.144220 -0.507461
H -6.681537 -0.528484 -0.950719


