%chk=000266057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266057

0 1
S -2.492980 0.500857 0.252901
O 4.666718 0.897828 0.989347
O 4.700653 -2.424348 0.158058
O 5.427252 3.337923 -0.805548
N 2.452625 0.151065 0.794898
N 0.580883 1.491528 0.823851
N 1.361156 -2.024671 0.227093
N -1.099690 -1.766945 -0.028385
N -0.018827 -3.836727 -0.416030
C 3.864226 -0.280825 0.935408
C 4.331290 -1.126140 -0.296612
C 5.604267 -0.419714 -0.779944
C 5.532915 0.992002 -0.189974
C 4.935591 2.038541 -1.143209
C 1.370644 -0.679825 0.492911
C 1.902579 1.468440 0.993472
C 0.201951 0.173992 0.510813
C -1.035028 -0.447748 0.237423
C 0.093890 -2.506124 -0.043118
C -3.805226 -0.696730 -0.156351
C -5.051540 0.123133 -0.168906
C -5.483062 0.733756 -1.357790
C -5.800081 0.288117 1.007945
C -6.653166 1.497057 -1.366997
C -6.969199 1.052843 0.991514
C -7.398375 1.657392 -0.194381
H 4.009558 -0.799766 1.914906
H 3.555136 -1.214230 -1.086494
H 6.494661 -0.971674 -0.406262
H 5.692362 -0.429457 -1.878934
H 6.494237 1.349336 0.242239
H 3.830627 2.033369 -1.119672
H 5.285882 1.907767 -2.185592
H 3.884752 -2.978403 0.261558
H 2.546157 2.298552 1.256003
H 5.088444 3.610139 0.075371
H -3.830265 -1.516131 0.589811
H -3.595730 -1.186450 -1.129018
H 0.758682 -4.457525 -0.250909
H -0.938476 -4.253982 -0.443851
H -4.904091 0.617680 -2.272913
H -5.468236 -0.175078 1.936037
H -6.983775 1.970027 -2.290578
H -7.546122 1.179581 1.906437
H -8.309071 2.253071 -0.204226


%chk=000266057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000266057

0 1
S -2.572275 0.792127 0.421296
O 4.718322 1.129485 0.768180
O 3.976382 -2.364663 -0.123849
O 5.810280 3.117694 -0.920832
N 2.443632 0.404025 0.733592
N 0.581820 1.733966 0.963506
N 1.341059 -1.717529 0.060343
N -1.099977 -1.480277 -0.078615
N -0.048546 -3.514651 -0.548829
C 3.847793 -0.045368 0.821913
C 4.271887 -0.972426 -0.358368
C 5.789251 -0.712658 -0.416192
C 5.924534 0.789708 -0.094104
C 5.877558 1.713636 -1.320901
C 1.348885 -0.401261 0.422805
C 1.918478 1.674960 1.063494
C 0.202690 0.437681 0.564697
C -1.050606 -0.172382 0.287161
C 0.074879 -2.197046 -0.176432
C -3.858934 -0.552164 -0.063143
C -5.234573 0.066886 -0.074917
C -5.747791 0.661165 -1.257203
C -6.038904 0.063748 1.094378
C -7.038219 1.234796 -1.272675
C -7.329802 0.636916 1.081520
C -7.833395 1.223791 -0.102799
H 3.997035 -0.582003 1.781858
H 3.777419 -0.595826 -1.281331
H 6.278859 -1.336446 0.351299
H 6.211947 -0.973710 -1.400754
H 6.804336 1.036464 0.524289
H 5.018602 1.438117 -1.971095
H 6.811060 1.616952 -1.901999
H 2.955689 -2.411885 -0.078824
H 2.569139 2.493512 1.356384
H 5.066752 3.200845 -0.268320
H -3.754150 -1.358445 0.678264
H -3.545900 -0.930871 -1.047590
H 0.776168 -4.100973 -0.641529
H -0.977585 -3.884919 -0.727458
H -5.131552 0.675311 -2.164246
H -5.649598 -0.387425 2.015073
H -7.422753 1.688649 -2.192795
H -7.940835 0.625790 1.990911
H -8.834867 1.668207 -0.113861


