%chk=000271148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271148

0 1
S 6.134744 -1.191282 0.100723
O 6.593103 -1.388092 -1.246621
O 6.846179 -1.821760 1.198345
N 6.375525 0.490753 0.548692
N 4.856279 1.253956 -1.069958
N 4.519361 3.619298 -1.478853
N 0.364637 -2.464445 0.652217
N -0.548439 -1.640822 0.390174
N -3.802762 -3.553079 0.891169
N -4.942826 -0.033774 -0.042068
N -1.676023 -4.423095 1.136400
N -5.994992 -2.849714 0.689001
N -6.199038 -0.101716 -0.065926
C 4.458089 -1.498685 0.250517
C 3.620050 -1.391293 -0.866062
C 3.928514 -1.873255 1.494961
C 5.791760 1.570415 -0.106751
C 1.733315 -2.030190 0.501368
C 2.253552 -1.654268 -0.747542
C 2.569854 -2.140159 1.631209
C 6.110562 2.913845 0.200782
C 5.446741 3.919971 -0.516811
C 4.255701 2.297668 -1.724809
C 5.720438 5.363007 -0.267255
C -1.895872 -2.032621 0.496294
C 3.247652 1.962621 -2.770518
C -2.806627 -0.993912 0.218542
C -4.191520 -1.193493 0.264213
C -2.444847 -3.331879 0.840565
C -4.670628 -2.522211 0.611508
C -6.924486 1.112303 -0.366000
C -6.465452 2.403811 -0.053525
C -8.193906 0.924870 -0.945709
C -7.282284 3.504686 -0.320432
C -8.994615 2.036821 -1.210054
C -8.543350 3.324516 -0.897645
H 7.070907 0.710673 1.276115
H 4.035834 -1.093473 -1.838937
H 4.589713 -1.966320 2.365340
H 1.597243 -1.565205 -1.611898
H 2.153169 -2.431257 2.594366
H 6.844764 3.162025 0.956419
H 5.093613 6.017192 -0.898077
H 5.523832 5.634142 0.780012
H 6.769511 5.612689 -0.485299
H 3.700687 1.363341 -3.576811
H 2.419365 1.371468 -2.349595
H 2.817443 2.869469 -3.227478
H -2.415195 0.001614 -0.042268
H -0.663278 -4.381671 1.132633
H -2.112453 -5.305331 1.365588
H -6.273575 -3.787706 0.940726
H -6.724421 -2.168081 0.506398
H -5.479655 2.541170 0.391647
H -8.541425 -0.078443 -1.187632
H -6.932404 4.507868 -0.078838
H -9.976496 1.900562 -1.661902
H -9.175170 4.186579 -1.104851


%chk=000271148-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271148

0 1
S 5.851538 -1.277294 -1.023369
O 5.888551 -0.922385 -2.600522
O 6.720219 -2.519523 -0.426215
N 6.564943 0.101840 0.011941
N 5.161833 1.754311 -0.902704
N 5.643833 4.121187 -0.621160
N 0.138256 -2.189703 0.830592
N -0.823472 -1.468958 0.264557
N -3.886214 -2.896929 1.987991
N -5.400509 -0.255534 -0.291627
N -1.642667 -3.490724 2.279372
N -6.137029 -2.323478 1.714092
N -6.684582 -0.398796 -0.006270
C 4.074788 -1.469701 -0.442467
C 3.063731 -0.730128 -1.082093
C 3.842260 -2.414313 0.570758
C 6.301132 1.447483 -0.211305
C 1.451074 -1.892504 0.356242
C 1.736283 -0.949063 -0.675082
C 2.507381 -2.619926 0.970408
C 7.160376 2.459481 0.302757
C 6.785433 3.801741 0.080154
C 4.884760 3.081250 -1.085747
C 7.625225 4.953484 0.585485
C -2.132595 -1.721449 0.672519
C 3.638218 3.416112 -1.866289
C -3.140349 -0.936884 0.062971
C -4.502781 -1.098082 0.381468
C -2.575003 -2.716428 1.662745
C -4.834043 -2.127487 1.380035
C -7.559668 0.483606 -0.713010
C -7.125775 1.462797 -1.651693
C -8.944187 0.341276 -0.428504
C -8.075683 2.281732 -2.289770
C -9.888717 1.166391 -1.073391
C -9.458329 2.139380 -2.006041
H 7.455010 -0.207745 0.420635
H 3.323501 -0.005418 -1.858213
H 4.673107 -2.977358 1.006554
H 0.906163 -0.407987 -1.136312
H 2.264972 -3.344919 1.753653
H 8.075284 2.212358 0.849305
H 7.132728 5.904439 0.332305
H 7.761730 4.899500 1.681156
H 8.631441 4.942525 0.126912
H 3.705596 3.006351 -2.890344
H 2.750759 2.961420 -1.390135
H 3.510232 4.507134 -1.917058
H -2.852392 -0.184595 -0.677238
H -0.653715 -3.312883 1.991966
H -1.952084 -4.183059 2.961980
H -6.365261 -3.037509 2.406311
H -6.821020 -1.705898 1.218783
H -6.055822 1.558086 -1.857426
H -9.258233 -0.417425 0.296718
H -7.744354 3.036228 -3.012081
H -10.955096 1.052443 -0.850679
H -10.190380 2.781632 -2.507822


