%chk=000297070.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297070

0 1
S 0.633359 1.156412 -1.102031
S -4.213750 0.523772 1.322718
O 0.505433 -1.398961 -0.305201
N 4.540596 0.175011 -0.368344
N -1.465499 -0.184414 -0.043540
N -1.127046 2.004329 -0.791024
C 4.739553 -1.273735 -0.697715
C 5.504232 0.762173 0.613897
C 3.105890 0.502809 -0.079425
C 4.491689 -2.248181 0.466560
C 6.140095 -1.484236 -1.293869
C 5.173862 0.507855 2.096263
C 5.608875 2.273556 0.344079
C 2.325149 0.532641 -1.390442
C -0.078227 -0.358547 -0.432658
C -2.325452 -1.283913 0.333752
C -1.980059 1.135427 -0.148263
C -3.580674 -1.061489 0.928348
C -3.219954 1.574914 0.357844
C -1.923766 -2.611951 0.088174
C -4.413622 -2.128767 1.276210
C -3.609777 2.895209 0.149877
C -2.753011 -3.674076 0.448925
C -3.997307 -3.440603 1.043513
C -2.744233 3.769806 -0.523880
C -1.501940 3.302282 -0.965664
H 3.985667 -1.504154 -1.503582
H 6.508976 0.303137 0.403206
H 3.059740 1.500906 0.410783
H 2.643643 -0.223462 0.627052
H 5.106921 -2.004822 1.341943
H 3.441863 -2.221820 0.783414
H 4.718111 -3.277868 0.176504
H 6.929366 -1.371702 -0.542690
H 6.336663 -0.753108 -2.088269
H 6.232777 -2.484214 -1.727316
H 4.223858 0.961184 2.393117
H 5.103836 -0.568554 2.304041
H 5.948754 0.923413 2.746755
H 4.683977 2.800794 0.600269
H 5.798584 2.461081 -0.720298
H 6.422541 2.720903 0.920407
H 2.308010 -0.460697 -1.872303
H 2.791372 1.224967 -2.115745
H -0.954463 -2.829847 -0.375920
H -5.389912 -1.943547 1.729898
H -4.575644 3.254938 0.514125
H -2.422863 -4.696843 0.260542
H -4.638871 -4.275207 1.320410
H -3.032972 4.805365 -0.694934
H -0.779452 3.954336 -1.473613


%chk=000297070-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297070

0 1
S 0.815270 1.625336 -1.214746
S -2.913648 0.365267 2.103057
O 0.556407 -1.101003 -1.078180
N 4.458700 -0.037062 0.029503
N -1.398613 0.068365 -0.534588
N -2.092345 2.148484 -1.499258
C 4.403120 -1.520433 -0.087838
C 5.636456 0.603066 0.667490
C 3.154565 0.633949 0.137957
C 4.427032 -2.271810 1.274762
C 5.497320 -2.066186 -1.035641
C 5.474619 0.913648 2.186496
C 6.046804 1.885207 -0.099834
C 2.580207 0.919033 -1.268566
C -0.047378 -0.006063 -0.951129
C -2.094632 -1.143796 -0.142836
C -2.130402 1.303415 -0.439642
C -2.847048 -1.150542 1.057598
C -2.897879 1.568774 0.726150
C -2.056080 -2.309315 -0.943621
C -3.538937 -2.308670 1.469811
C -3.621212 2.777529 0.797952
C -2.728218 -3.475567 -0.521131
C -3.465582 -3.480807 0.685428
C -3.540122 3.685916 -0.281925
C -2.765164 3.329654 -1.408791
H 3.423840 -1.735932 -0.560334
H 6.468546 -0.120732 0.566449
H 3.257731 1.588228 0.685757
H 2.418622 0.021518 0.702969
H 5.407726 -2.161939 1.774206
H 3.643602 -1.887214 1.953381
H 4.245208 -3.352465 1.123493
H 6.512302 -1.916098 -0.621412
H 5.445359 -1.556829 -2.013623
H 5.362810 -3.152586 -1.193042
H 4.702993 1.687287 2.359501
H 5.188133 0.011706 2.753566
H 6.425415 1.297606 2.602396
H 5.240814 2.642558 -0.060434
H 6.244229 1.649633 -1.159995
H 6.954211 2.339314 0.341399
H 2.523580 -0.004106 -1.866683
H 3.173885 1.675258 -1.808448
H -1.482667 -2.301091 -1.872534
H -4.129495 -2.290134 2.391511
H -4.229031 3.002776 1.679882
H -2.678426 -4.378335 -1.138580
H -3.990928 -4.385002 1.009844
H -4.077032 4.638641 -0.256873
H -2.679769 3.994053 -2.274974


