%chk=000250072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250072

0 1
S 0.454394 1.686633 -0.311796
S -0.453504 -1.689303 -0.302185
O 3.269925 1.878083 -0.327404
O -3.269037 -1.880842 -0.318365
N 3.852344 -0.368652 -0.279938
N -3.851468 0.366135 -0.284403
N 3.496887 -1.669433 -0.275573
N -3.496010 1.666918 -0.287409
C 1.497057 0.288625 -0.303228
C -1.496171 -0.291272 -0.302408
C -1.154449 1.019530 -0.304969
C 1.155335 -1.022170 -0.298332
C 2.894849 0.726763 -0.303418
C -2.893962 -0.729405 -0.300870
C 5.295046 -0.125771 -0.240406
C -5.294201 0.123498 -0.244349
C 2.218630 -2.004637 -0.287723
C -2.217742 2.002044 -0.300706
C 5.831769 0.930995 -0.992923
C -5.830497 -0.937555 -0.991126
C 6.116909 -0.947892 0.548252
C -6.116517 0.950150 0.539079
C 7.208704 1.161216 -0.946509
C -7.207467 -1.167468 -0.944229
C 7.491724 -0.703160 0.574458
C -7.491356 0.705604 0.565855
C 8.039108 0.347782 -0.168730
C -8.038318 -0.349567 -0.171627
H 1.994139 -3.081925 -0.290336
H -1.993245 3.079298 -0.309514
H 5.185800 1.579495 -1.589225
H -5.184186 -1.589476 -1.583311
H 5.693459 -1.770267 1.125662
H -5.693394 1.775814 1.112016
H 7.634387 1.983191 -1.522486
H -7.632829 -1.992716 -1.515747
H 8.138867 -1.336550 1.181060
H -8.138849 1.342479 1.168422
H 9.111669 0.533790 -0.140435
H -9.110902 -0.535381 -0.142923


%chk=000250072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250072

0 1
S 0.432411 1.700714 -1.776979
S -0.430330 -1.702589 -1.777844
O 3.257726 1.996073 -1.050557
O -3.254894 -1.998564 -1.054712
N 3.789274 -0.277956 -0.547295
N -3.788032 0.274849 -0.548094
N 3.419352 -1.609570 -0.474815
N -3.417861 1.606478 -0.475741
C 1.538676 0.335065 -1.285482
C -1.536750 -0.337073 -1.286206
C -1.181892 0.998785 -1.254077
C 1.183803 -1.000877 -1.253752
C 2.897440 0.784837 -0.956592
C -2.895751 -0.787082 -0.958548
C 5.162041 -0.031030 -0.124150
C -5.161286 0.028377 -0.125307
C 2.172305 -1.943507 -0.809961
C -2.171037 1.940889 -0.810631
C 5.884368 1.111215 -0.554665
C -5.878485 -1.122691 -0.541206
C 5.779606 -0.986779 0.724171
C -5.785001 0.993267 0.708422
C 7.219083 1.285012 -0.126015
C -7.213442 -1.295782 -0.112900
C 7.110252 -0.795314 1.143119
C -7.115703 0.802222 1.127087
C 7.839419 0.341585 0.721608
C -7.839606 -0.343316 0.720009
H 1.943018 -3.009461 -0.732053
H -1.942295 3.006962 -0.732624
H 5.411461 1.854595 -1.195122
H -5.401280 -1.872972 -1.170228
H 5.216088 -1.868181 1.036436
H -5.225865 1.881071 1.009902
H 7.771756 2.168620 -0.462703
H -7.761593 -2.186350 -0.438494
H 7.576378 -1.535105 1.802768
H -7.586090 1.549377 1.775317
H 8.873550 0.488664 1.051018
H -8.873913 -0.489860 1.049094


