%chk=000259482.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259482

0 1
S -1.014001 -0.946694 -0.636430
O -0.371727 -2.145575 -0.128755
O -1.190433 -0.768783 -2.060323
O -6.484378 1.634991 1.085013
O -4.957845 2.532494 -0.160389
N -0.177887 0.450349 -0.051931
N 2.746784 0.389601 -0.058430
N -5.406137 1.622991 0.515824
C 0.623316 1.186405 -1.069909
C 0.617587 0.252322 1.191703
C 1.995791 0.535672 -1.344539
C 1.974805 -0.432965 0.924014
C 4.150741 0.145568 -0.151862
C -2.555327 -0.808067 0.165696
C 4.877924 0.573048 -1.286952
C 4.857850 -0.409710 0.939638
C -3.330310 0.339745 0.012522
C -3.012467 -1.874926 0.948371
C -4.574430 0.408724 0.661394
C 6.266105 0.452287 -1.315904
C 6.246259 -0.521634 0.890837
C -4.255737 -1.799774 1.587437
C 6.960362 -0.096068 -0.233264
C -5.044705 -0.658205 1.447423
H 0.767980 2.226393 -0.691098
H 0.044510 1.264383 -2.020418
H 0.033119 -0.337488 1.929013
H 0.786470 1.259804 1.643736
H 1.873662 -0.439137 -1.867893
H 2.575340 1.194966 -2.033210
H 2.546116 -0.501335 1.878047
H 1.816650 -1.479388 0.565852
H 4.362471 1.011393 -2.139190
H 4.326386 -0.742252 1.828928
H -2.991101 1.189353 -0.599490
H -2.391902 -2.776403 1.062721
H 6.814481 0.788983 -2.195790
H 6.779143 -0.948615 1.740454
H -4.609080 -2.635899 2.193571
H -6.022742 -0.579819 1.939231
H 8.041553 -0.189832 -0.264947


%chk=000259482-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259482

0 1
S -1.066635 -1.040412 -0.653326
O -0.464792 -2.459132 -0.092029
O -1.322505 -0.789265 -2.244476
O -6.737683 1.675961 0.896782
O -5.206525 2.424575 -0.620789
N -0.113399 0.521223 -0.022923
N 2.802881 0.209244 -0.126926
N -5.614944 1.586148 0.268725
C 0.703901 1.095592 -1.133085
C 0.700952 0.189643 1.184730
C 2.033900 0.357668 -1.382033
C 2.049467 -0.520050 0.909483
C 4.222249 0.131149 -0.165260
C -2.703716 -0.782301 0.265014
C 4.968778 0.986995 -1.030872
C 4.948905 -0.762316 0.676324
C -3.502316 0.312127 -0.088493
C -3.064129 -1.738943 1.227552
C -4.728801 0.434305 0.596889
C 6.376178 0.944838 -1.051723
C 6.360513 -0.785388 0.656625
C -4.306412 -1.582284 1.888538
C 7.089674 0.061988 -0.206228
C -5.145836 -0.492511 1.578861
H 0.894509 2.143565 -0.830950
H 0.086014 1.096351 -2.047883
H 0.088864 -0.416235 1.876728
H 0.893970 1.168062 1.666342
H 1.813985 -0.642180 -1.825056
H 2.620954 0.918268 -2.124972
H 2.623909 -0.514196 1.851448
H 1.859293 -1.578150 0.622039
H 4.451828 1.712526 -1.667961
H 4.421226 -1.464657 1.328693
H -3.211813 1.038457 -0.852285
H -2.394650 -2.581454 1.431882
H 6.919973 1.619298 -1.723377
H 6.890287 -1.486414 1.312166
H -4.617161 -2.313247 2.640907
H -6.109716 -0.348137 2.073867
H 8.184021 0.036191 -0.222250


