%chk=000264103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264103

0 1
S 2.246948 -2.004022 -0.779585
O -4.030909 -2.963124 -1.332040
O -1.977254 -2.445785 -1.745669
O -6.160331 1.646264 2.146663
O -6.902025 -0.195130 1.284904
N 0.102590 0.603604 -0.510802
N -0.896003 -0.321818 -0.744748
N -3.070131 -2.225794 -1.216680
N -6.023307 0.626413 1.489731
C 3.922261 -0.093923 0.520547
C 2.853481 -1.171335 0.740298
C 5.127575 -0.685634 -0.242200
C 3.439835 -2.337305 1.547977
C 5.742953 -1.836131 0.567729
C 4.709514 -2.918996 0.907948
C 3.490230 1.237093 -0.062570
C 2.284797 1.513957 -0.727818
C 1.793366 -0.653017 -1.899435
C 1.288527 0.454621 -1.039055
C 4.393537 2.305776 0.130364
C 1.988306 2.819635 -1.165458
C 4.107932 3.592885 -0.317054
C 2.894957 3.856327 -0.965538
C -2.141160 -0.085773 -0.199886
C -3.212096 -1.017121 -0.420098
C -2.412263 1.085667 0.586006
C -4.482879 -0.769552 0.145064
C -3.651005 1.309604 1.122376
C -4.702934 0.370585 0.903187
H 4.289290 0.154906 1.564482
H 1.974751 -0.732551 1.269115
H 5.890064 0.093464 -0.427451
H 4.817113 -1.044078 -1.242082
H 2.686315 -3.140568 1.684536
H 3.669533 -1.982436 2.574384
H 6.193201 -1.441424 1.498869
H 6.576904 -2.287350 -0.003934
H 4.448647 -3.482735 -0.010901
H 5.159607 -3.662117 1.594208
H 1.049198 -1.041338 -2.624751
H 2.668873 -0.343114 -2.508389
H 5.337474 2.122165 0.645698
H 1.036557 3.015501 -1.662303
H 4.825633 4.397626 -0.157904
H 2.662921 4.863689 -1.307327
H -0.709423 -1.219234 -1.261240
H -1.596678 1.799907 0.751937
H -5.300665 -1.494429 -0.025196
H -3.862726 2.202544 1.726194


%chk=000264103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000264103

0 1
S 2.071747 -2.210039 -0.145813
O -4.068315 -3.124568 -1.111861
O -1.847249 -2.625313 -1.191175
O -6.704284 2.062819 1.242132
O -7.333168 -0.026414 0.560116
N -0.039731 0.692604 -0.225005
N -1.008344 -0.273219 -0.453951
N -3.094107 -2.307517 -0.913170
N -6.441817 0.885602 0.771127
C 4.163066 -0.185435 0.384654
C 3.242087 -1.249979 1.040313
C 5.091185 -0.833100 -0.687695
C 4.121086 -2.340289 1.710291
C 5.973880 -1.920798 -0.025253
C 5.126391 -2.980727 0.719662
C 3.569537 1.181200 -0.015325
C 2.218910 1.477418 -0.385405
C 1.631204 -0.820187 -1.357349
C 1.197303 0.424404 -0.628149
C 4.472539 2.275831 0.089609
C 1.822497 2.831666 -0.590078
C 4.083380 3.608250 -0.148266
C 2.737492 3.892322 -0.477887
C -2.324498 -0.003924 -0.149433
C -3.368789 -0.980260 -0.363905
C -2.706264 1.270566 0.386330
C -4.715882 -0.685320 -0.060966
C -4.033763 1.559176 0.687188
C -5.036445 0.574147 0.457419
H 4.852057 0.071814 1.221548
H 2.583108 -0.772914 1.787526
H 5.726661 -0.051695 -1.145104
H 4.490893 -1.285324 -1.499773
H 3.477722 -3.121184 2.159243
H 4.669322 -1.861330 2.547867
H 6.664849 -1.430214 0.692107
H 6.603794 -2.414524 -0.789444
H 4.566675 -3.584109 -0.019435
H 5.789220 -3.675328 1.270189
H 0.840369 -1.245572 -1.999804
H 2.507889 -0.607279 -1.985698
H 5.508461 2.069671 0.387245
H 0.780374 3.024380 -0.862622
H 4.816774 4.417349 -0.062448
H 2.411891 4.923016 -0.653304
H -0.816600 -1.241865 -0.781661
H -1.912346 2.000297 0.553968
H -5.491147 -1.435746 -0.234970
H -4.328512 2.528040 1.098519


