%chk=000244997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244997

0 1
S 2.282737 0.434593 -0.000185
N -2.707858 0.421199 0.000423
N -0.756172 1.651866 -0.000333
N -1.708283 -1.869288 0.001171
N 0.781517 -1.780992 0.000906
N -0.397894 -3.829874 0.001701
C -4.160100 0.105801 0.000075
C -4.817601 0.670923 -1.275341
C -4.818907 0.674169 1.273368
C -6.320327 0.363064 -1.269057
C -6.321620 0.366246 1.266320
C -6.997987 0.903716 -0.002390
C -1.661243 -0.500819 0.000592
C -2.089483 1.719827 -0.000231
C -0.440188 0.283813 0.000168
C 0.772344 -0.435783 0.000347
C -0.456465 -2.451870 0.001423
C 3.546642 -0.879703 0.000264
C 4.842577 -0.141214 -0.000148
C 5.456652 0.208805 1.213588
C 5.456658 0.207448 -1.214268
C 6.673267 0.895557 1.209544
C 6.673275 0.894204 -1.210983
C 7.284269 1.238370 -0.000911
H -4.256038 -1.016933 0.001462
H -4.340470 0.233614 -2.173730
H -4.656416 1.763019 -1.347241
H -4.657863 1.766453 1.342644
H -4.342684 0.239179 2.173361
H -6.481638 -0.730108 -1.345269
H -6.793626 0.802496 -2.167783
H -6.795851 0.807910 2.163459
H -6.482984 -0.726735 1.345098
H -6.966515 2.010364 -0.003764
H -8.069678 0.629379 -0.002593
H -2.681779 2.623386 -0.000499
H 3.420048 -1.538970 -0.882045
H 3.420197 -1.538230 0.883149
H -1.243556 -4.374305 0.001678
H 0.490453 -4.300767 0.001466
H 4.982444 -0.049375 2.159371
H 4.982458 -0.051785 -2.159766
H 7.145140 1.166209 2.152798
H 7.145154 1.163800 -2.154538
H 8.231490 1.773641 -0.001205


%chk=000244997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244997

0 1
S 2.275774 0.765216 0.001617
N -2.771419 0.557092 0.000969
N -0.881393 1.873352 0.001165
N -1.713624 -1.676813 0.000897
N 0.747862 -1.530276 0.001403
N -0.356422 -3.594414 0.001660
C -4.199324 0.160239 0.000220
C -4.920300 0.649954 -1.280235
C -4.922741 0.652838 1.278189
C -6.402316 0.203745 -1.278237
C -6.404778 0.206641 1.274361
C -7.136694 0.683257 -0.003182
C -1.684995 -0.318986 0.000981
C -2.225425 1.855754 0.000621
C -0.519913 0.512082 0.001310
C 0.723072 -0.173179 0.001523
C -0.453776 -2.219288 0.000998
C 3.530734 -0.687671 0.001236
C 4.931903 -0.127802 0.000121
C 5.604251 0.139949 1.221016
C 5.602527 0.139369 -1.221853
C 6.918172 0.658123 1.221522
C 6.916444 0.657541 -1.224473
C 7.578749 0.917980 -0.002004
H -4.187693 -0.947774 0.001455
H -4.395364 0.260180 -2.172240
H -4.870943 1.756937 -1.329035
H -4.873534 1.759927 1.324616
H -4.399521 0.265081 2.172081
H -6.451340 -0.903376 -1.333062
H -6.908466 0.590075 -2.183251
H -6.912644 0.595050 2.177522
H -6.453937 -0.900352 1.331630
H -7.187971 1.791755 -0.004486
H -8.180347 0.314808 -0.003767
H -2.849334 2.746286 0.000366
H 3.305384 -1.288438 -0.892699
H 3.306628 -1.287933 0.895824
H -1.204944 -4.152438 0.001785
H 0.563938 -4.023332 0.002130
H 5.092273 -0.056487 2.170742
H 5.089199 -0.057520 -2.170757
H 7.425471 0.858525 2.171903
H 7.422395 0.857480 -2.175670
H 8.598480 1.319146 -0.002817


